NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9836 | 1oqk | 5710 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 9 H ARG 9 -10.122 -14.557 -2.476 2 HA ARG 9 HA ARG 9 -9.001 -12.987 -0.295 3 1HB ARG 9 2HB ARG 9 -7.996 -13.472 -3.106 4 2HB ARG 9 1HB ARG 9 -7.129 -12.576 -1.866 5 1HG ARG 9 2HG ARG 9 -7.047 -14.594 -0.478 6 2HG ARG 9 1HG ARG 9 -7.889 -15.488 -1.744 7 1HD ARG 9 2HD ARG 9 -6.046 -15.043 -3.287 8 2HD ARG 9 1HD ARG 9 -5.210 -14.130 -2.031 9 HE ARG 9 HE ARG 9 -5.755 -16.697 -1.054 10 1HH1 ARG 9 1HH1 ARG 9 -3.768 -15.143 -3.464 11 2HH1 ARG 9 2HH1 ARG 9 -2.529 -16.352 -3.402 12 1HH2 ARG 9 1HH2 ARG 9 -4.128 -18.287 -0.971 13 2HH2 ARG 9 2HH2 ARG 9 -2.733 -18.136 -1.986 14 H HIS 10 H HIS 10 -9.973 -12.408 -3.684 15 HA HIS 10 HA HIS 10 -10.825 -10.568 -4.723 16 1HB HIS 10 2HB HIS 10 -12.477 -10.678 -2.854 17 2HB HIS 10 1HB HIS 10 -11.447 -9.597 -1.923 18 HD1 HIS 10 1HD HIS 10 -13.886 -8.269 -2.052 19 HD2 HIS 10 2HD HIS 10 -11.500 -8.302 -5.453 20 HE1 HIS 10 1HE HIS 10 -14.716 -6.370 -3.476 21 HE2 HIS 10 2HE HIS 10 -13.198 -6.354 -5.485 22 H GLU 11 H GLU 11 -9.791 -8.883 -5.626 23 HA GLU 11 HA GLU 11 -7.266 -8.068 -4.898 24 1HB GLU 11 2HB GLU 11 -9.322 -6.450 -6.415 25 2HB GLU 11 1HB GLU 11 -7.588 -6.160 -6.416 26 1HG GLU 11 2HG GLU 11 -8.961 -8.631 -7.452 27 2HG GLU 11 1HG GLU 11 -8.319 -7.314 -8.433 28 H LEU 12 H LEU 12 -6.915 -5.454 -4.676 29 HA LEU 12 HA LEU 12 -8.451 -4.624 -2.308 30 1HB LEU 12 2HB LEU 12 -6.455 -3.787 -1.251 31 2HB LEU 12 1HB LEU 12 -6.256 -5.489 -1.620 32 HG LEU 12 HG LEU 12 -5.096 -3.239 -3.265 33 1HD1 LEU 12 1HD1 LEU 12 -3.020 -4.661 -2.136 34 2HD1 LEU 12 2HD1 LEU 12 -4.185 -4.520 -0.820 35 3HD1 LEU 12 3HD1 LEU 12 -3.589 -3.071 -1.632 36 1HD2 LEU 12 1HD2 LEU 12 -5.262 -6.153 -3.593 37 2HD2 LEU 12 2HD2 LEU 12 -3.654 -5.466 -3.828 38 3HD2 LEU 12 3HD2 LEU 12 -5.010 -4.886 -4.793 39 H ILE 13 H ILE 13 -8.717 -3.864 -5.125 40 HA ILE 13 HA ILE 13 -7.656 -1.183 -5.316 41 HB ILE 13 HB ILE 13 -9.648 -2.595 -7.099 42 1HG1 ILE 13 2HG1 ILE 13 -6.659 -2.207 -7.389 43 2HG1 ILE 13 1HG1 ILE 13 -7.473 -3.729 -7.043 44 1HG2 ILE 13 1HG2 ILE 13 -9.928 -0.307 -7.502 45 2HG2 ILE 13 2HG2 ILE 13 -8.798 -0.831 -8.750 46 3HG2 ILE 13 3HG2 ILE 13 -8.206 0.027 -7.327 47 1HD1 ILE 13 1HD1 ILE 13 -7.475 -2.142 -9.581 48 2HD1 ILE 13 2HD1 ILE 13 -8.686 -3.382 -9.256 49 3HD1 ILE 13 3HD1 ILE 13 -6.976 -3.812 -9.318 50 H GLY 14 H GLY 14 -8.528 0.224 -3.900 51 1HA GLY 14 2HA GLY 14 -10.396 1.832 -3.792 52 2HA GLY 14 1HA GLY 14 -11.476 0.447 -3.877 53 H LEU 15 H LEU 15 -9.585 -1.042 -2.039 54 HA LEU 15 HA LEU 15 -10.933 -0.606 0.368 55 1HB LEU 15 2HB LEU 15 -8.179 -1.791 0.008 56 2HB LEU 15 1HB LEU 15 -9.227 -2.011 1.396 57 HG LEU 15 HG LEU 15 -9.738 -3.033 -1.397 58 1HD1 LEU 15 1HD1 LEU 15 -9.286 -4.629 1.106 59 2HD1 LEU 15 2HD1 LEU 15 -7.964 -4.146 0.043 60 3HD1 LEU 15 3HD1 LEU 15 -9.259 -5.177 -0.570 61 1HD2 LEU 15 1HD2 LEU 15 -11.789 -2.341 -0.154 62 2HD2 LEU 15 2HD2 LEU 15 -11.354 -3.500 1.104 63 3HD2 LEU 15 3HD2 LEU 15 -11.716 -4.063 -0.528 64 H SER 16 H SER 16 -9.872 0.002 2.467 65 HA SER 16 HA SER 16 -8.532 2.569 2.129 66 1HB SER 16 2HB SER 16 -9.613 1.231 4.627 67 2HB SER 16 1HB SER 16 -8.985 2.877 4.534 68 HG SER 16 HG SER 16 -10.682 3.166 2.864 69 H VAL 17 H VAL 17 -6.522 3.067 3.098 70 HA VAL 17 HA VAL 17 -5.035 0.885 4.325 71 HB VAL 17 HB VAL 17 -4.557 0.541 1.988 72 1HG1 VAL 17 1HG1 VAL 17 -3.276 2.450 0.796 73 2HG1 VAL 17 2HG1 VAL 17 -4.066 3.489 1.981 74 3HG1 VAL 17 3HG1 VAL 17 -5.039 2.511 0.880 75 1HG2 VAL 17 1HG2 VAL 17 -2.095 0.885 1.986 76 2HG2 VAL 17 2HG2 VAL 17 -2.706 0.147 3.466 77 3HG2 VAL 17 3HG2 VAL 17 -2.269 1.856 3.448 78 H ARG 18 H ARG 18 -3.605 1.558 5.821 79 HA ARG 18 HA ARG 18 -3.042 4.450 5.962 80 1HB ARG 18 2HB ARG 18 -3.520 2.555 8.268 81 2HB ARG 18 1HB ARG 18 -3.076 4.249 8.418 82 1HG ARG 18 2HG ARG 18 -5.164 4.894 7.323 83 2HG ARG 18 1HG ARG 18 -5.610 3.192 7.179 84 1HD ARG 18 2HD ARG 18 -6.717 4.222 9.089 85 2HD ARG 18 1HD ARG 18 -5.585 2.977 9.613 86 HE ARG 18 HE ARG 18 -4.260 5.440 9.638 87 1HH1 ARG 18 1HH1 ARG 18 -6.844 3.807 11.321 88 2HH1 ARG 18 2HH1 ARG 18 -6.590 4.668 12.802 89 1HH2 ARG 18 1HH2 ARG 18 -3.925 6.571 11.587 90 2HH2 ARG 18 2HH2 ARG 18 -4.932 6.237 12.954 91 H ILE 19 H ILE 19 -0.975 5.051 6.229 92 HA ILE 19 HA ILE 19 1.043 2.933 6.348 93 HB ILE 19 HB ILE 19 1.310 5.849 5.590 94 1HG1 ILE 19 2HG1 ILE 19 1.731 4.947 3.313 95 2HG1 ILE 19 1HG1 ILE 19 1.364 3.332 3.906 96 1HG2 ILE 19 1HG2 ILE 19 3.299 4.071 6.471 97 2HG2 ILE 19 2HG2 ILE 19 3.516 5.659 5.736 98 3HG2 ILE 19 3HG2 ILE 19 3.496 4.213 4.726 99 1HD1 ILE 19 1HD1 ILE 19 -0.912 3.819 4.166 100 2HD1 ILE 19 2HD1 ILE 19 -0.474 4.606 2.650 101 3HD1 ILE 19 3HD1 ILE 19 -0.636 5.560 4.124 102 H ALA 20 H ALA 20 2.506 2.755 7.964 103 HA ALA 20 HA ALA 20 2.137 4.499 10.287 104 1HB ALA 20 1HB ALA 20 2.609 2.736 11.604 105 2HB ALA 20 2HB ALA 20 3.902 2.165 10.550 106 3HB ALA 20 3HB ALA 20 2.222 1.798 10.162 107 H ARG 21 H ARG 21 4.473 3.501 7.933 108 HA ARG 21 HA ARG 21 6.122 5.750 8.399 109 1HB ARG 21 2HB ARG 21 8.176 4.564 9.072 110 2HB ARG 21 1HB ARG 21 6.917 4.454 10.294 111 1HG ARG 21 2HG ARG 21 6.379 2.197 9.549 112 2HG ARG 21 1HG ARG 21 7.631 2.305 8.310 113 1HD ARG 21 2HD ARG 21 9.324 2.604 10.062 114 2HD ARG 21 1HD ARG 21 8.068 2.476 11.293 115 HE ARG 21 HE ARG 21 7.961 0.192 9.679 116 1HH1 ARG 21 1HH1 ARG 21 10.081 1.697 12.008 117 2HH1 ARG 21 2HH1 ARG 21 10.760 0.196 12.544 118 1HH2 ARG 21 1HH2 ARG 21 8.856 -1.781 10.382 119 2HH2 ARG 21 2HH2 ARG 21 10.066 -1.779 11.620 120 H SER 22 H SER 22 7.132 6.254 6.551 121 HA SER 22 HA SER 22 7.541 4.120 4.565 122 1HB SER 22 2HB SER 22 6.444 6.893 4.070 123 2HB SER 22 1HB SER 22 6.887 5.752 2.801 124 HG SER 22 HG SER 22 4.578 5.899 3.688 125 H VAL 23 H VAL 23 9.067 4.736 2.824 126 HA VAL 23 HA VAL 23 11.561 5.413 3.798 127 HB VAL 23 HB VAL 23 11.289 4.226 1.700 128 1HG1 VAL 23 1HG1 VAL 23 10.522 5.293 -0.325 129 2HG1 VAL 23 2HG1 VAL 23 10.308 6.824 0.524 130 3HG1 VAL 23 3HG1 VAL 23 9.282 5.445 0.922 131 1HG2 VAL 23 1HG2 VAL 23 12.680 6.857 1.204 132 2HG2 VAL 23 2HG2 VAL 23 12.997 5.323 0.395 133 3HG2 VAL 23 3HG2 VAL 23 13.370 5.508 2.109 134 H HIS 24 H HIS 24 9.250 7.502 2.076 135 HA HIS 24 HA HIS 24 10.963 9.812 2.617 136 1HB HIS 24 2HB HIS 24 8.479 9.560 0.910 137 2HB HIS 24 1HB HIS 24 9.433 11.029 1.094 138 HD1 HIS 24 1HD HIS 24 12.175 10.411 0.509 139 HD2 HIS 24 2HD HIS 24 9.128 8.318 -1.386 140 HE1 HIS 24 1HE HIS 24 13.214 9.447 -1.568 141 HE2 HIS 24 2HE HIS 24 11.372 8.114 -2.654 142 H ARG 25 H ARG 25 10.418 11.437 3.975 143 HA ARG 25 HA ARG 25 8.491 10.941 5.986 144 1HB ARG 25 2HB ARG 25 9.984 13.486 5.341 145 2HB ARG 25 1HB ARG 25 9.094 13.178 6.827 146 1HG ARG 25 2HG ARG 25 10.617 11.349 7.366 147 2HG ARG 25 1HG ARG 25 11.508 11.651 5.872 148 1HD ARG 25 2HD ARG 25 12.051 13.905 6.659 149 2HD ARG 25 1HD ARG 25 11.164 13.598 8.152 150 HE ARG 25 HE ARG 25 13.101 11.603 7.853 151 1HH1 ARG 25 1HH1 ARG 25 12.909 15.038 8.438 152 2HH1 ARG 25 2HH1 ARG 25 14.392 15.096 9.330 153 1HH2 ARG 25 1HH2 ARG 25 15.051 11.676 9.027 154 2HH2 ARG 25 2HH2 ARG 25 15.609 13.188 9.665 155 H ASP 26 H ASP 26 8.395 12.647 2.986 156 HA ASP 26 HA ASP 26 6.212 14.341 3.478 157 1HB ASP 26 2HB ASP 26 7.091 13.082 0.875 158 2HB ASP 26 1HB ASP 26 5.967 14.429 1.021 159 H ILE 27 H ILE 27 6.407 10.970 2.854 160 HA ILE 27 HA ILE 27 3.500 10.799 2.638 161 HB ILE 27 HB ILE 27 3.830 8.565 1.648 162 1HG1 ILE 27 2HG1 ILE 27 6.758 9.320 1.784 163 2HG1 ILE 27 1HG1 ILE 27 5.974 8.009 2.655 164 1HG2 ILE 27 1HG2 ILE 27 3.486 10.231 0.056 165 2HG2 ILE 27 2HG2 ILE 27 4.951 9.422 -0.501 166 3HG2 ILE 27 3HG2 ILE 27 5.062 10.967 0.344 167 1HD1 ILE 27 1HD1 ILE 27 6.406 8.208 -0.314 168 2HD1 ILE 27 2HD1 ILE 27 5.451 6.951 0.469 169 3HD1 ILE 27 3HD1 ILE 27 7.175 7.089 0.809 170 H GLN 28 H GLN 28 6.210 10.045 4.570 171 HA GLN 28 HA GLN 28 5.520 7.754 5.922 172 1HB GLN 28 2HB GLN 28 7.633 8.914 6.275 173 2HB GLN 28 1HB GLN 28 6.796 10.265 7.026 174 1HG GLN 28 2HG GLN 28 6.077 8.795 8.849 175 2HG GLN 28 1HG GLN 28 6.947 7.458 8.099 176 1HE2 GLN 28 1HE2 GLN 28 8.815 7.058 9.017 177 2HE2 GLN 28 2HE2 GLN 28 9.873 8.219 9.738 178 H GLY 29 H GLY 29 3.905 7.160 7.205 179 1HA GLY 29 2HA GLY 29 2.218 7.284 8.774 180 2HA GLY 29 1HA GLY 29 2.660 8.960 9.056 181 H ILE 30 H ILE 30 2.022 8.122 5.787 182 HA ILE 30 HA ILE 30 -0.213 9.888 5.706 183 HB ILE 30 HB ILE 30 1.349 9.694 3.811 184 1HG1 ILE 30 2HG1 ILE 30 -1.482 8.888 3.113 185 2HG1 ILE 30 1HG1 ILE 30 -0.947 10.531 3.458 186 1HG2 ILE 30 1HG2 ILE 30 1.997 7.703 3.080 187 2HG2 ILE 30 2HG2 ILE 30 0.366 7.413 2.476 188 3HG2 ILE 30 3HG2 ILE 30 0.803 6.910 4.107 189 1HD1 ILE 30 1HD1 ILE 30 -1.165 10.154 1.064 190 2HD1 ILE 30 2HD1 ILE 30 -0.019 8.816 1.158 191 3HD1 ILE 30 3HD1 ILE 30 0.517 10.461 1.500 192 H SER 31 H SER 31 -2.340 9.326 4.897 193 HA SER 31 HA SER 31 -3.139 6.533 5.214 194 1HB SER 31 2HB SER 31 -5.034 7.159 6.672 195 2HB SER 31 1HB SER 31 -3.484 7.520 7.432 196 HG SER 31 HG SER 31 -5.222 9.197 7.464 197 H GLY 32 H GLY 32 -4.811 5.934 3.870 198 1HA GLY 32 2HA GLY 32 -6.714 7.690 2.780 199 2HA GLY 32 1HA GLY 32 -5.374 7.565 1.652 200 H ARG 33 H ARG 33 -6.995 6.686 0.214 201 HA ARG 33 HA ARG 33 -7.717 3.931 0.828 202 1HB ARG 33 2HB ARG 33 -8.934 5.878 -1.071 203 2HB ARG 33 1HB ARG 33 -9.285 4.157 -1.148 204 1HG ARG 33 2HG ARG 33 -9.896 4.292 1.280 205 2HG ARG 33 1HG ARG 33 -9.838 6.047 1.115 206 1HD ARG 33 2HD ARG 33 -11.569 5.948 -0.601 207 2HD ARG 33 1HD ARG 33 -11.598 4.189 -0.484 208 HE ARG 33 HE ARG 33 -12.082 5.297 2.052 209 1HH1 ARG 33 1HH1 ARG 33 -13.624 4.934 -1.057 210 2HH1 ARG 33 2HH1 ARG 33 -15.227 4.986 -0.407 211 1HH2 ARG 33 1HH2 ARG 33 -14.189 5.362 2.908 212 2HH2 ARG 33 2HH2 ARG 33 -15.550 5.229 1.843 213 H VAL 34 H VAL 34 -7.934 2.563 -1.226 214 HA VAL 34 HA VAL 34 -5.225 2.486 -2.339 215 HB VAL 34 HB VAL 34 -7.271 0.272 -2.257 216 1HG1 VAL 34 1HG1 VAL 34 -4.384 0.381 -3.083 217 2HG1 VAL 34 2HG1 VAL 34 -5.769 -0.229 -3.990 218 3HG1 VAL 34 3HG1 VAL 34 -5.164 -1.124 -2.596 219 1HG2 VAL 34 1HG2 VAL 34 -4.833 0.353 -0.540 220 2HG2 VAL 34 2HG2 VAL 34 -6.364 -0.488 -0.286 221 3HG2 VAL 34 3HG2 VAL 34 -6.267 1.257 -0.051 222 H VAL 35 H VAL 35 -4.807 1.870 -4.514 223 HA VAL 35 HA VAL 35 -7.061 2.088 -6.349 224 HB VAL 35 HB VAL 35 -5.775 4.320 -6.129 225 1HG1 VAL 35 1HG1 VAL 35 -3.923 4.548 -7.725 226 2HG1 VAL 35 2HG1 VAL 35 -3.871 2.792 -7.854 227 3HG1 VAL 35 3HG1 VAL 35 -3.550 3.576 -6.311 228 1HG2 VAL 35 1HG2 VAL 35 -7.493 3.699 -7.836 229 2HG2 VAL 35 2HG2 VAL 35 -6.171 3.197 -8.889 230 3HG2 VAL 35 3HG2 VAL 35 -6.305 4.881 -8.384 231 H ASP 36 H ASP 36 -3.593 1.414 -6.008 232 HA ASP 36 HA ASP 36 -3.893 -1.074 -7.395 233 1HB ASP 36 2HB ASP 36 -3.673 0.454 -9.302 234 2HB ASP 36 1HB ASP 36 -2.186 1.103 -8.618 235 H GLU 37 H GLU 37 -1.827 -2.308 -7.429 236 HA GLU 37 HA GLU 37 0.041 -1.383 -5.348 237 1HB GLU 37 2HB GLU 37 -1.454 -3.068 -4.387 238 2HB GLU 37 1HB GLU 37 -1.047 -4.186 -5.684 239 1HG GLU 37 2HG GLU 37 1.269 -4.239 -4.914 240 2HG GLU 37 1HG GLU 37 0.864 -3.116 -3.619 241 H THR 38 H THR 38 2.147 -1.524 -5.863 242 HA THR 38 HA THR 38 2.871 -3.133 -8.228 243 HB THR 38 HB THR 38 4.009 -0.451 -7.423 244 HG1 THR 38 1HG THR 38 2.999 0.257 -9.322 245 1HG2 THR 38 1HG2 THR 38 5.222 -0.486 -9.508 246 2HG2 THR 38 2HG2 THR 38 4.598 -2.096 -9.869 247 3HG2 THR 38 3HG2 THR 38 5.692 -1.859 -8.506 248 H ARG 39 H ARG 39 5.041 -3.939 -8.287 249 HA ARG 39 HA ARG 39 5.880 -5.337 -6.116 250 1HB ARG 39 2HB ARG 39 8.071 -5.537 -7.202 251 2HB ARG 39 1HB ARG 39 6.755 -5.721 -8.353 252 1HG ARG 39 2HG ARG 39 7.085 -3.443 -9.126 253 2HG ARG 39 1HG ARG 39 8.371 -3.214 -7.940 254 1HD ARG 39 2HD ARG 39 9.289 -3.691 -10.150 255 2HD ARG 39 1HD ARG 39 9.682 -4.974 -9.006 256 HE ARG 39 HE ARG 39 8.570 -6.416 -10.363 257 1HH1 ARG 39 1HH1 ARG 39 7.363 -3.203 -11.004 258 2HH1 ARG 39 2HH1 ARG 39 6.286 -3.724 -12.255 259 1HH2 ARG 39 1HH2 ARG 39 7.163 -7.099 -12.012 260 2HH2 ARG 39 2HH2 ARG 39 6.173 -5.935 -12.829 261 H ASN 40 H ASN 40 6.982 -2.079 -7.003 262 HA ASN 40 HA ASN 40 7.997 -1.799 -4.259 263 1HB ASN 40 2HB ASN 40 9.909 -0.499 -5.088 264 2HB ASN 40 1HB ASN 40 9.922 -2.146 -5.696 265 1HD2 ASN 40 1HD2 ASN 40 7.555 -0.466 -7.372 266 2HD2 ASN 40 2HD2 ASN 40 8.492 -0.009 -8.739 267 H THR 41 H THR 41 5.476 -0.920 -5.494 268 HA THR 41 HA THR 41 5.575 1.802 -4.551 269 HB THR 41 HB THR 41 4.833 1.248 -7.430 270 HG1 THR 41 1HG THR 41 6.733 1.998 -7.905 271 1HG2 THR 41 1HG2 THR 41 4.710 3.753 -7.567 272 2HG2 THR 41 2HG2 THR 41 4.654 3.763 -5.803 273 3HG2 THR 41 3HG2 THR 41 3.380 2.961 -6.720 274 H LEU 42 H LEU 42 3.734 2.327 -3.572 275 HA LEU 42 HA LEU 42 1.424 0.552 -3.966 276 1HB LEU 42 2HB LEU 42 2.484 0.741 -1.674 277 2HB LEU 42 1HB LEU 42 1.941 2.405 -1.639 278 HG LEU 42 HG LEU 42 0.456 0.943 -0.364 279 1HD1 LEU 42 1HD1 LEU 42 -1.200 1.620 -2.736 280 2HD1 LEU 42 2HD1 LEU 42 -0.312 2.929 -1.956 281 3HD1 LEU 42 3HD1 LEU 42 -1.468 1.974 -1.029 282 1HD2 LEU 42 1HD2 LEU 42 0.740 -1.144 -1.511 283 2HD2 LEU 42 2HD2 LEU 42 0.092 -0.471 -3.007 284 3HD2 LEU 42 3HD2 LEU 42 -0.963 -0.695 -1.611 285 H ARG 43 H ARG 43 -0.327 1.361 -4.947 286 HA ARG 43 HA ARG 43 -0.450 4.265 -5.313 287 1HB ARG 43 2HB ARG 43 -0.514 2.339 -7.174 288 2HB ARG 43 1HB ARG 43 -2.230 2.434 -6.833 289 1HG ARG 43 2HG ARG 43 -1.862 3.890 -8.640 290 2HG ARG 43 1HG ARG 43 -2.014 4.938 -7.226 291 1HD ARG 43 2HD ARG 43 -0.151 5.647 -8.632 292 2HD ARG 43 1HD ARG 43 0.425 5.076 -7.066 293 HE ARG 43 HE ARG 43 0.487 2.919 -8.829 294 1HH1 ARG 43 1HH1 ARG 43 2.053 6.014 -8.442 295 2HH1 ARG 43 2HH1 ARG 43 3.528 5.501 -9.188 296 1HH2 ARG 43 1HH2 ARG 43 2.426 2.244 -9.811 297 2HH2 ARG 43 2HH2 ARG 43 3.739 3.361 -9.967 298 H ILE 44 H ILE 44 -1.939 5.413 -4.291 299 HA ILE 44 HA ILE 44 -4.051 4.027 -2.780 300 HB ILE 44 HB ILE 44 -2.457 6.525 -2.285 301 1HG1 ILE 44 2HG1 ILE 44 -2.924 4.025 -0.661 302 2HG1 ILE 44 1HG1 ILE 44 -1.474 4.421 -1.578 303 1HG2 ILE 44 1HG2 ILE 44 -3.866 7.457 -0.839 304 2HG2 ILE 44 2HG2 ILE 44 -4.404 5.908 -0.198 305 3HG2 ILE 44 3HG2 ILE 44 -5.106 6.540 -1.685 306 1HD1 ILE 44 1HD1 ILE 44 -0.736 5.115 0.422 307 2HD1 ILE 44 2HD1 ILE 44 -2.363 5.363 1.058 308 3HD1 ILE 44 3HD1 ILE 44 -1.628 6.580 0.015 309 H GLU 45 H GLU 45 -6.095 4.238 -3.571 310 HA GLU 45 HA GLU 45 -6.908 6.918 -4.410 311 1HB GLU 45 2HB GLU 45 -6.701 5.711 -6.489 312 2HB GLU 45 1HB GLU 45 -7.660 4.376 -5.856 313 1HG GLU 45 2HG GLU 45 -9.600 5.859 -5.708 314 2HG GLU 45 1HG GLU 45 -8.631 7.179 -6.363 315 H MET 46 H MET 46 -8.901 7.532 -3.907 316 HA MET 46 HA MET 46 -10.485 5.776 -2.161 317 1HB MET 46 2HB MET 46 -11.228 7.867 -0.996 318 2HB MET 46 1HB MET 46 -9.529 7.485 -0.777 319 1HG MET 46 2HG MET 46 -9.514 9.113 -2.985 320 2HG MET 46 1HG MET 46 -10.785 9.806 -1.979 321 1HE MET 46 1HE MET 46 -6.776 9.129 -2.149 322 2HE MET 46 2HE MET 46 -7.601 7.855 -1.251 323 3HE MET 46 3HE MET 46 -6.546 8.985 -0.405 324 H ASP 47 H ASP 47 -12.582 5.574 -2.546 325 HA ASP 47 HA ASP 47 -13.719 5.850 -4.969 326 1HB ASP 47 2HB ASP 47 -14.727 4.581 -3.135 327 2HB ASP 47 1HB ASP 47 -15.174 6.083 -2.332 328 H ASP 48 H ASP 48 -13.329 8.412 -2.673 329 HA ASP 48 HA ASP 48 -15.267 10.204 -3.605 330 1HB ASP 48 2HB ASP 48 -13.926 10.519 -1.529 331 2HB ASP 48 1HB ASP 48 -12.518 10.875 -2.524 332 H GLY 49 H GLY 49 -12.470 8.991 -5.111 333 1HA GLY 49 2HA GLY 49 -12.089 9.293 -7.435 334 2HA GLY 49 1HA GLY 49 -12.805 10.893 -7.317 335 H ARG 50 H ARG 50 -10.668 10.040 -4.806 336 HA ARG 50 HA ARG 50 -8.627 11.813 -5.979 337 1HB ARG 50 2HB ARG 50 -9.208 11.148 -3.104 338 2HB ARG 50 1HB ARG 50 -7.840 12.114 -3.628 339 1HG ARG 50 2HG ARG 50 -9.358 13.771 -4.562 340 2HG ARG 50 1HG ARG 50 -10.741 12.790 -4.070 341 1HD ARG 50 2HD ARG 50 -8.691 14.020 -2.230 342 2HD ARG 50 1HD ARG 50 -10.335 14.603 -2.486 343 HE ARG 50 HE ARG 50 -10.463 11.927 -1.684 344 1HH1 ARG 50 1HH1 ARG 50 -9.563 15.039 -0.387 345 2HH1 ARG 50 2HH1 ARG 50 -9.961 14.615 1.243 346 1HH2 ARG 50 1HH2 ARG 50 -10.989 11.367 0.460 347 2HH2 ARG 50 2HH2 ARG 50 -10.772 12.530 1.724 348 H GLU 51 H GLU 51 -6.733 11.011 -6.578 349 HA GLU 51 HA GLU 51 -5.947 8.387 -5.503 350 1HB GLU 51 2HB GLU 51 -4.909 7.903 -7.642 351 2HB GLU 51 1HB GLU 51 -6.596 8.339 -7.883 352 1HG GLU 51 2HG GLU 51 -5.931 10.583 -8.559 353 2HG GLU 51 1HG GLU 51 -4.238 10.155 -8.316 354 H ILE 52 H ILE 52 -3.737 8.026 -5.114 355 HA ILE 52 HA ILE 52 -1.776 10.093 -5.485 356 HB ILE 52 HB ILE 52 -2.906 10.914 -3.464 357 1HG1 ILE 52 2HG1 ILE 52 -0.155 9.765 -2.936 358 2HG1 ILE 52 1HG1 ILE 52 -0.499 11.300 -3.733 359 1HG2 ILE 52 1HG2 ILE 52 -3.196 9.693 -1.522 360 2HG2 ILE 52 2HG2 ILE 52 -1.965 8.508 -1.960 361 3HG2 ILE 52 3HG2 ILE 52 -3.529 8.498 -2.776 362 1HD1 ILE 52 1HD1 ILE 52 -1.173 10.619 -0.870 363 2HD1 ILE 52 2HD1 ILE 52 -1.486 12.160 -1.670 364 3HD1 ILE 52 3HD1 ILE 52 0.175 11.626 -1.403 365 H THR 53 H THR 53 0.283 9.248 -5.481 366 HA THR 53 HA THR 53 0.467 6.356 -5.168 367 HB THR 53 HB THR 53 1.323 7.309 -7.224 368 HG1 THR 53 1HG THR 53 2.440 5.512 -6.430 369 1HG2 THR 53 1HG2 THR 53 1.959 9.517 -6.532 370 2HG2 THR 53 2HG2 THR 53 3.347 8.693 -7.242 371 3HG2 THR 53 3HG2 THR 53 3.223 8.861 -5.491 372 H VAL 54 H VAL 54 2.182 5.326 -4.024 373 HA VAL 54 HA VAL 54 3.729 6.879 -2.121 374 HB VAL 54 HB VAL 54 1.800 4.767 -1.141 375 1HG1 VAL 54 1HG1 VAL 54 3.489 6.641 0.502 376 2HG1 VAL 54 2HG1 VAL 54 4.023 5.022 0.052 377 3HG1 VAL 54 3HG1 VAL 54 2.582 5.230 1.047 378 1HG2 VAL 54 1HG2 VAL 54 0.702 6.671 0.032 379 2HG2 VAL 54 2HG2 VAL 54 0.560 6.743 -1.723 380 3HG2 VAL 54 3HG2 VAL 54 1.724 7.773 -0.890 381 HA PRO 55 HA PRO 55 6.463 3.636 -3.789 382 1HB PRO 55 2HB PRO 55 8.119 4.914 -1.651 383 2HB PRO 55 1HB PRO 55 8.572 4.450 -3.297 384 1HG PRO 55 2HG PRO 55 8.082 6.991 -2.717 385 2HG PRO 55 1HG PRO 55 7.513 6.292 -4.245 386 1HD PRO 55 2HD PRO 55 5.978 6.974 -1.785 387 2HD PRO 55 1HD PRO 55 5.477 7.045 -3.484 388 H LYS 56 H LYS 56 6.918 1.609 -3.137 389 HA LYS 56 HA LYS 56 6.199 0.866 -0.395 390 1HB LYS 56 2HB LYS 56 6.321 -0.689 -2.961 391 2HB LYS 56 1HB LYS 56 6.316 -1.504 -1.405 392 1HG LYS 56 2HG LYS 56 4.191 -0.415 -0.854 393 2HG LYS 56 1HG LYS 56 4.195 0.352 -2.441 394 1HD LYS 56 2HD LYS 56 2.764 -1.625 -2.428 395 2HD LYS 56 1HD LYS 56 4.136 -1.844 -3.511 396 1HE LYS 56 2HE LYS 56 4.152 -2.845 -0.674 397 2HE LYS 56 1HE LYS 56 3.510 -3.806 -2.005 398 1HZ LYS 56 1HZ LYS 56 5.997 -2.902 -2.819 399 2HZ LYS 56 2HZ LYS 56 5.568 -4.479 -2.388 400 3HZ LYS 56 3HZ LYS 56 6.198 -3.429 -1.223 401 H GLY 57 H GLY 57 8.978 1.584 -2.033 402 1HA GLY 57 2HA GLY 57 10.757 -0.458 -1.619 403 2HA GLY 57 1HA GLY 57 11.188 1.238 -1.475 404 H ILE 58 H ILE 58 9.529 1.780 0.813 405 HA ILE 58 HA ILE 58 10.314 -0.013 2.909 406 HB ILE 58 HB ILE 58 11.385 2.812 2.985 407 1HG1 ILE 58 2HG1 ILE 58 13.646 1.546 3.049 408 2HG1 ILE 58 1HG1 ILE 58 12.749 0.203 2.350 409 1HG2 ILE 58 1HG2 ILE 58 12.253 0.697 4.880 410 2HG2 ILE 58 2HG2 ILE 58 10.662 1.420 5.107 411 3HG2 ILE 58 3HG2 ILE 58 12.101 2.438 5.114 412 1HD1 ILE 58 1HD1 ILE 58 13.144 1.085 0.363 413 2HD1 ILE 58 2HD1 ILE 58 13.823 2.543 1.088 414 3HD1 ILE 58 3HD1 ILE 58 12.086 2.427 0.800 415 H ALA 59 H ALA 59 7.830 0.253 2.489 416 HA ALA 59 HA ALA 59 6.910 2.233 4.438 417 1HB ALA 59 1HB ALA 59 6.114 3.484 2.778 418 2HB ALA 59 2HB ALA 59 4.842 2.268 2.657 419 3HB ALA 59 3HB ALA 59 6.255 2.174 1.606 420 H VAL 60 H VAL 60 6.025 1.123 6.055 421 HA VAL 60 HA VAL 60 4.552 -1.340 5.519 422 HB VAL 60 HB VAL 60 6.119 -1.294 7.426 423 1HG1 VAL 60 1HG1 VAL 60 4.305 0.352 9.072 424 2HG1 VAL 60 2HG1 VAL 60 5.290 1.214 7.890 425 3HG1 VAL 60 3HG1 VAL 60 6.063 0.207 9.114 426 1HG2 VAL 60 1HG2 VAL 60 3.235 -1.576 8.270 427 2HG2 VAL 60 2HG2 VAL 60 4.632 -2.304 9.062 428 3HG2 VAL 60 3HG2 VAL 60 4.182 -2.807 7.432 429 H PHE 61 H PHE 61 2.370 -1.504 5.554 430 HA PHE 61 HA PHE 61 0.764 0.501 6.866 431 1HB PHE 61 2HB PHE 61 -0.519 0.959 4.705 432 2HB PHE 61 1HB PHE 61 1.053 1.727 4.883 433 HD1 PHE 61 1HD PHE 61 2.366 1.755 3.022 434 HD2 PHE 61 2HD PHE 61 -0.305 -1.510 3.587 435 HE1 PHE 61 1HE PHE 61 3.088 0.798 0.875 436 HE2 PHE 61 2HE PHE 61 0.419 -2.475 1.441 437 HZ PHE 61 HZ PHE 61 2.116 -1.320 0.084 438 H HIS 62 H HIS 62 -1.415 -0.049 7.080 439 HA HIS 62 HA HIS 62 -2.036 -2.853 6.428 440 1HB HIS 62 2HB HIS 62 -2.881 -1.205 8.821 441 2HB HIS 62 1HB HIS 62 -3.508 -2.807 8.454 442 HD1 HIS 62 1HD HIS 62 -2.332 -2.893 11.043 443 HD2 HIS 62 2HD HIS 62 0.108 -3.075 7.687 444 HE1 HIS 62 1HE HIS 62 -0.177 -3.921 11.832 445 HE2 HIS 62 2HE HIS 62 1.319 -3.925 9.807 446 H PHE 63 H PHE 63 -4.092 -3.329 5.645 447 HA PHE 63 HA PHE 63 -5.555 -0.995 4.647 448 1HB PHE 63 2HB PHE 63 -5.705 -3.886 3.771 449 2HB PHE 63 1HB PHE 63 -6.585 -2.552 3.040 450 HD1 PHE 63 1HD PHE 63 -3.045 -3.306 3.979 451 HD2 PHE 63 2HD PHE 63 -5.748 -1.801 1.057 452 HE1 PHE 63 1HE PHE 63 -1.163 -2.893 2.457 453 HE2 PHE 63 2HE PHE 63 -3.867 -1.387 -0.472 454 HZ PHE 63 HZ PHE 63 -1.570 -1.933 0.227 455 H ARG 64 H ARG 64 -7.864 -0.973 4.689 456 HA ARG 64 HA ARG 64 -9.072 -2.681 6.753 457 1HB ARG 64 2HB ARG 64 -9.518 0.296 6.440 458 2HB ARG 64 1HB ARG 64 -10.318 -0.748 7.608 459 1HG ARG 64 2HG ARG 64 -7.364 -0.171 7.509 460 2HG ARG 64 1HG ARG 64 -8.523 0.552 8.625 461 1HD ARG 64 2HD ARG 64 -7.879 -2.387 8.416 462 2HD ARG 64 1HD ARG 64 -7.276 -1.292 9.658 463 HE ARG 64 HE ARG 64 -9.787 -2.590 9.631 464 1HH1 ARG 64 1HH1 ARG 64 -8.269 0.428 10.514 465 2HH1 ARG 64 2HH1 ARG 64 -9.475 0.833 11.688 466 1HH2 ARG 64 1HH2 ARG 64 -11.368 -2.059 11.181 467 2HH2 ARG 64 2HH2 ARG 64 -11.232 -0.578 12.069 468 H THR 65 H THR 65 -10.937 -3.599 6.142 469 HA THR 65 HA THR 65 -12.184 -2.629 3.662 470 HB THR 65 HB THR 65 -12.397 -5.345 4.971 471 HG1 THR 65 1HG THR 65 -10.577 -5.659 3.997 472 1HG2 THR 65 1HG2 THR 65 -13.041 -5.268 2.176 473 2HG2 THR 65 2HG2 THR 65 -14.104 -4.202 3.096 474 3HG2 THR 65 3HG2 THR 65 -13.973 -5.907 3.531 475 HA PRO 66 HA PRO 66 -15.611 -1.016 5.994 476 1HB PRO 66 2HB PRO 66 -17.512 -1.536 3.990 477 2HB PRO 66 1HB PRO 66 -16.596 -0.043 4.203 478 1HG PRO 66 2HG PRO 66 -16.094 -2.331 2.366 479 2HG PRO 66 1HG PRO 66 -15.805 -0.600 2.114 480 1HD PRO 66 2HD PRO 66 -13.791 -2.285 2.622 481 2HD PRO 66 1HD PRO 66 -13.802 -0.639 3.291 482 H GLN 67 H GLN 67 -15.688 -4.147 4.407 483 HA GLN 67 HA GLN 67 -18.032 -5.149 5.593 484 1HB GLN 67 2HB GLN 67 -15.563 -6.643 4.691 485 2HB GLN 67 1HB GLN 67 -17.120 -7.378 5.045 486 1HG GLN 67 2HG GLN 67 -18.134 -6.100 3.225 487 2HG GLN 67 1HG GLN 67 -16.571 -5.373 2.868 488 1HE2 GLN 67 1HE2 GLN 67 -15.924 -8.467 3.801 489 2HE2 GLN 67 2HE2 GLN 67 -15.917 -9.233 2.256 490 H GLY 68 H GLY 68 -14.980 -4.433 6.927 491 1HA GLY 68 2HA GLY 68 -14.708 -4.371 9.304 492 2HA GLY 68 1HA GLY 68 -15.773 -5.764 9.424 493 H GLU 69 H GLU 69 -12.901 -5.171 7.402 494 HA GLU 69 HA GLU 69 -11.670 -7.532 8.683 495 1HB GLU 69 2HB GLU 69 -11.377 -6.673 5.800 496 2HB GLU 69 1HB GLU 69 -10.607 -8.064 6.545 497 1HG GLU 69 2HG GLU 69 -12.794 -9.069 6.944 498 2HG GLU 69 1HG GLU 69 -13.571 -7.673 6.198 499 H LEU 70 H LEU 70 -9.396 -7.542 8.900 500 HA LEU 70 HA LEU 70 -8.123 -4.897 8.658 501 1HB LEU 70 2HB LEU 70 -8.715 -5.424 10.999 502 2HB LEU 70 1HB LEU 70 -7.766 -6.893 10.899 503 HG LEU 70 HG LEU 70 -6.627 -5.052 12.109 504 1HD1 LEU 70 1HD1 LEU 70 -5.492 -6.894 10.638 505 2HD1 LEU 70 2HD1 LEU 70 -4.535 -5.576 11.315 506 3HD1 LEU 70 3HD1 LEU 70 -5.043 -5.522 9.627 507 1HD2 LEU 70 1HD2 LEU 70 -5.806 -3.125 10.924 508 2HD2 LEU 70 2HD2 LEU 70 -7.556 -3.217 10.724 509 3HD2 LEU 70 3HD2 LEU 70 -6.491 -3.717 9.409 510 H VAL 71 H VAL 71 -6.635 -5.056 7.109 511 HA VAL 71 HA VAL 71 -5.013 -7.518 6.976 512 HB VAL 71 HB VAL 71 -5.556 -5.552 4.746 513 1HG1 VAL 71 1HG1 VAL 71 -3.532 -6.466 4.161 514 2HG1 VAL 71 2HG1 VAL 71 -4.640 -7.633 3.439 515 3HG1 VAL 71 3HG1 VAL 71 -3.860 -7.992 4.979 516 1HG2 VAL 71 1HG2 VAL 71 -7.580 -6.630 4.937 517 2HG2 VAL 71 2HG2 VAL 71 -6.853 -8.120 5.536 518 3HG2 VAL 71 3HG2 VAL 71 -6.727 -7.705 3.828 519 H GLU 72 H GLU 72 -2.767 -7.330 6.661 520 HA GLU 72 HA GLU 72 -1.656 -4.639 7.103 521 1HB GLU 72 2HB GLU 72 0.056 -5.635 8.559 522 2HB GLU 72 1HB GLU 72 -1.565 -5.869 9.198 523 1HG GLU 72 2HG GLU 72 -1.570 -8.160 8.355 524 2HG GLU 72 1HG GLU 72 0.055 -7.925 7.712 525 H ILE 73 H ILE 73 0.169 -4.106 5.992 526 HA ILE 73 HA ILE 73 1.487 -6.169 4.376 527 HB ILE 73 HB ILE 73 0.535 -3.519 3.273 528 1HG1 ILE 73 2HG1 ILE 73 -1.273 -5.179 3.535 529 2HG1 ILE 73 1HG1 ILE 73 -0.928 -4.847 1.841 530 1HG2 ILE 73 1HG2 ILE 73 1.418 -4.325 1.135 531 2HG2 ILE 73 2HG2 ILE 73 2.041 -5.765 1.938 532 3HG2 ILE 73 3HG2 ILE 73 2.689 -4.176 2.348 533 1HD1 ILE 73 1HD1 ILE 73 0.197 -7.213 3.315 534 2HD1 ILE 73 2HD1 ILE 73 0.195 -6.918 1.577 535 3HD1 ILE 73 3HD1 ILE 73 -1.319 -7.255 2.417 536 H ASP 74 H ASP 74 3.676 -5.874 4.165 537 HA ASP 74 HA ASP 74 4.772 -3.523 5.550 538 1HB ASP 74 2HB ASP 74 6.024 -6.237 5.120 539 2HB ASP 74 1HB ASP 74 6.785 -4.889 5.954 540 H GLY 75 H GLY 75 5.776 -2.064 4.417 541 1HA GLY 75 2HA GLY 75 6.536 -2.605 1.657 542 2HA GLY 75 1HA GLY 75 6.424 -1.026 2.408 543 H ARG 76 H ARG 76 8.020 -2.524 4.699 544 HA ARG 76 HA ARG 76 10.583 -1.734 3.615 545 1HB ARG 76 2HB ARG 76 9.961 -0.660 5.682 546 2HB ARG 76 1HB ARG 76 9.686 -2.220 6.444 547 1HG ARG 76 2HG ARG 76 12.074 -2.732 6.239 548 2HG ARG 76 1HG ARG 76 12.341 -1.153 5.502 549 1HD ARG 76 2HD ARG 76 11.534 -0.064 7.537 550 2HD ARG 76 1HD ARG 76 11.251 -1.642 8.272 551 HE ARG 76 HE ARG 76 13.930 -1.493 7.460 552 1HH1 ARG 76 1HH1 ARG 76 11.777 -0.095 9.824 553 2HH1 ARG 76 2HH1 ARG 76 13.033 0.204 10.977 554 1HH2 ARG 76 1HH2 ARG 76 15.585 -1.102 8.977 555 2HH2 ARG 76 2HH2 ARG 76 15.195 -0.367 10.496 556 H ALA 77 H ALA 77 9.198 -4.417 5.432 557 HA ALA 77 HA ALA 77 11.561 -5.999 4.845 558 1HB ALA 77 1HB ALA 77 10.263 -7.600 6.504 559 2HB ALA 77 2HB ALA 77 9.510 -6.073 6.965 560 3HB ALA 77 3HB ALA 77 11.260 -6.260 7.069 561 H LEU 78 H LEU 78 8.311 -5.739 3.785 562 HA LEU 78 HA LEU 78 8.471 -8.461 2.672 563 1HB LEU 78 2HB LEU 78 6.069 -6.749 3.259 564 2HB LEU 78 1HB LEU 78 5.989 -8.237 2.338 565 HG LEU 78 HG LEU 78 6.886 -7.995 5.214 566 1HD1 LEU 78 1HD1 LEU 78 4.836 -9.141 5.762 567 2HD1 LEU 78 2HD1 LEU 78 4.395 -9.239 4.058 568 3HD1 LEU 78 3HD1 LEU 78 4.463 -7.671 4.863 569 1HD2 LEU 78 1HD2 LEU 78 8.080 -9.777 4.109 570 2HD2 LEU 78 2HD2 LEU 78 6.577 -10.409 3.435 571 3HD2 LEU 78 3HD2 LEU 78 6.853 -10.462 5.175 572 H VAL 79 H VAL 79 9.785 -6.179 1.443 573 HA VAL 79 HA VAL 79 8.218 -5.373 -0.805 574 HB VAL 79 HB VAL 79 10.052 -3.961 -0.001 575 1HG1 VAL 79 1HG1 VAL 79 11.468 -6.210 0.365 576 2HG1 VAL 79 2HG1 VAL 79 12.202 -4.612 0.236 577 3HG1 VAL 79 3HG1 VAL 79 12.150 -5.675 -1.171 578 1HG2 VAL 79 1HG2 VAL 79 10.671 -4.979 -2.769 579 2HG2 VAL 79 2HG2 VAL 79 10.989 -3.369 -2.123 580 3HG2 VAL 79 3HG2 VAL 79 9.329 -3.901 -2.386 581 H ALA 80 H ALA 80 7.510 -7.046 -2.048 582 HA ALA 80 HA ALA 80 9.500 -9.008 -2.968 583 1HB ALA 80 1HB ALA 80 6.613 -9.182 -2.352 584 2HB ALA 80 2HB ALA 80 7.908 -10.347 -2.076 585 3HB ALA 80 3HB ALA 80 7.212 -10.167 -3.687 586 H ARG 81 H ARG 81 9.534 -9.669 -5.136 587 HA ARG 81 HA ARG 81 8.385 -7.724 -7.027 588 1HB ARG 81 2HB ARG 81 10.347 -8.277 -8.486 589 2HB ARG 81 1HB ARG 81 10.756 -7.441 -6.996 590 1HG ARG 81 2HG ARG 81 11.419 -9.576 -5.993 591 2HG ARG 81 1HG ARG 81 11.034 -10.395 -7.506 592 1HD ARG 81 2HD ARG 81 13.427 -9.999 -7.341 593 2HD ARG 81 1HD ARG 81 12.737 -9.054 -8.659 594 HE ARG 81 HE ARG 81 13.945 -8.054 -6.237 595 1HH1 ARG 81 1HH1 ARG 81 11.930 -7.314 -8.992 596 2HH1 ARG 81 2HH1 ARG 81 12.072 -5.602 -8.791 597 1HH2 ARG 81 1HH2 ARG 81 14.140 -5.804 -5.984 598 2HH2 ARG 81 2HH2 ARG 81 13.331 -4.745 -7.088 599 HA PRO 82 HA PRO 82 6.386 -11.687 -8.101 600 1HB PRO 82 2HB PRO 82 4.236 -10.560 -9.322 601 2HB PRO 82 1HB PRO 82 4.353 -10.796 -7.576 602 1HG PRO 82 2HG PRO 82 4.844 -8.325 -9.190 603 2HG PRO 82 1HG PRO 82 4.006 -8.504 -7.639 604 1HD PRO 82 2HD PRO 82 6.557 -7.613 -7.829 605 2HD PRO 82 1HD PRO 82 5.967 -8.544 -6.438 606 H GLU 83 H GLU 83 5.263 -9.544 -10.600 607 HA GLU 83 HA GLU 83 5.869 -11.182 -12.710 608 1HB GLU 83 2HB GLU 83 5.686 -8.170 -12.727 609 2HB GLU 83 1HB GLU 83 5.610 -9.192 -14.155 610 1HG GLU 83 2HG GLU 83 3.659 -9.258 -11.863 611 2HG GLU 83 1HG GLU 83 3.396 -8.454 -13.411 612 H GLU 84 H GLU 84 8.010 -9.059 -11.031 613 HA GLU 84 HA GLU 84 10.005 -9.088 -13.124 614 1HB GLU 84 2HB GLU 84 9.784 -7.099 -11.750 615 2HB GLU 84 1HB GLU 84 10.094 -8.033 -10.296 616 1HG GLU 84 2HG GLU 84 12.045 -6.750 -10.952 617 2HG GLU 84 1HG GLU 84 12.368 -8.478 -11.050 618 H ARG 85 H ARG 85 9.003 -11.402 -11.071 619 HA ARG 85 HA ARG 85 9.873 -13.366 -10.342 620 1HB ARG 85 2HB ARG 85 10.816 -13.511 -12.601 621 2HB ARG 85 1HB ARG 85 12.220 -12.586 -12.084 622 1HG ARG 85 2HG ARG 85 12.834 -14.375 -10.540 623 2HG ARG 85 1HG ARG 85 11.423 -15.302 -11.056 624 1HD ARG 85 2HD ARG 85 12.304 -15.368 -13.338 625 2HD ARG 85 1HD ARG 85 13.711 -14.439 -12.822 626 HE ARG 85 HE ARG 85 13.523 -16.725 -11.220 627 1HH1 ARG 85 1HH1 ARG 85 14.175 -15.866 -14.540 628 2HH1 ARG 85 2HH1 ARG 85 15.190 -17.240 -14.827 629 1HH2 ARG 85 1HH2 ARG 85 14.857 -18.532 -11.596 630 2HH2 ARG 85 2HH2 ARG 85 15.577 -18.754 -13.156 631 H ILE 86 H ILE 86 11.291 -14.245 -8.774 632 HA ILE 86 HA ILE 86 12.465 -12.218 -7.060 633 HB ILE 86 HB ILE 86 12.128 -15.190 -6.620 634 1HG1 ILE 86 2HG1 ILE 86 10.364 -14.455 -5.007 635 2HG1 ILE 86 1HG1 ILE 86 10.561 -12.811 -5.600 636 1HG2 ILE 86 1HG2 ILE 86 13.125 -13.009 -4.803 637 2HG2 ILE 86 2HG2 ILE 86 13.957 -14.488 -5.287 638 3HG2 ILE 86 3HG2 ILE 86 12.558 -14.573 -4.216 639 1HD1 ILE 86 1HD1 ILE 86 8.641 -14.259 -6.512 640 2HD1 ILE 86 2HD1 ILE 86 9.895 -15.030 -7.484 641 3HD1 ILE 86 3HD1 ILE 86 9.595 -13.300 -7.642 Start of MODEL 2 1 H ARG 9 H ARG 9 -8.629 -7.664 -11.038 2 HA ARG 9 HA ARG 9 -11.066 -6.609 -11.992 3 1HB ARG 9 2HB ARG 9 -12.467 -8.624 -11.848 4 2HB ARG 9 1HB ARG 9 -11.268 -8.757 -13.127 5 1HG ARG 9 2HG ARG 9 -9.872 -10.138 -11.663 6 2HG ARG 9 1HG ARG 9 -11.095 -10.020 -10.399 7 1HD ARG 9 2HD ARG 9 -11.292 -12.126 -11.607 8 2HD ARG 9 1HD ARG 9 -12.716 -11.118 -11.862 9 HE ARG 9 HE ARG 9 -10.908 -10.624 -13.937 10 1HH1 ARG 9 1HH1 ARG 9 -12.930 -13.209 -12.752 11 2HH1 ARG 9 2HH1 ARG 9 -13.151 -13.921 -14.314 12 1HH2 ARG 9 1HH2 ARG 9 -11.196 -11.559 -15.993 13 2HH2 ARG 9 2HH2 ARG 9 -12.166 -12.985 -16.155 14 H HIS 10 H HIS 10 -9.534 -8.745 -9.626 15 HA HIS 10 HA HIS 10 -10.322 -7.095 -7.448 16 1HB HIS 10 2HB HIS 10 -12.479 -8.200 -7.815 17 2HB HIS 10 1HB HIS 10 -11.702 -9.776 -7.705 18 HD1 HIS 10 1HD HIS 10 -13.792 -9.686 -5.771 19 HD2 HIS 10 2HD HIS 10 -10.161 -7.840 -4.949 20 HE1 HIS 10 1HE HIS 10 -13.701 -9.466 -3.269 21 HE2 HIS 10 2HE HIS 10 -11.533 -8.270 -2.799 22 H GLU 11 H GLU 11 -8.459 -7.150 -6.376 23 HA GLU 11 HA GLU 11 -7.413 -9.743 -5.526 24 1HB GLU 11 2HB GLU 11 -6.185 -9.080 -7.593 25 2HB GLU 11 1HB GLU 11 -5.661 -7.616 -6.775 26 1HG GLU 11 2HG GLU 11 -5.038 -10.392 -5.799 27 2HG GLU 11 1HG GLU 11 -3.978 -9.454 -6.849 28 H LEU 12 H LEU 12 -6.316 -6.348 -5.382 29 HA LEU 12 HA LEU 12 -6.712 -6.397 -2.480 30 1HB LEU 12 2HB LEU 12 -4.372 -7.034 -2.937 31 2HB LEU 12 1HB LEU 12 -4.147 -5.539 -3.823 32 HG LEU 12 HG LEU 12 -4.515 -4.254 -1.760 33 1HD1 LEU 12 1HD1 LEU 12 -5.421 -5.130 0.067 34 2HD1 LEU 12 2HD1 LEU 12 -4.206 -6.407 0.121 35 3HD1 LEU 12 3HD1 LEU 12 -5.673 -6.626 -0.834 36 1HD2 LEU 12 1HD2 LEU 12 -2.255 -5.177 -2.500 37 2HD2 LEU 12 2HD2 LEU 12 -2.452 -6.360 -1.208 38 3HD2 LEU 12 3HD2 LEU 12 -2.405 -4.638 -0.827 39 H ILE 13 H ILE 13 -7.603 -4.948 -5.172 40 HA ILE 13 HA ILE 13 -7.188 -2.186 -4.349 41 HB ILE 13 HB ILE 13 -8.645 -3.280 -6.762 42 1HG1 ILE 13 2HG1 ILE 13 -6.641 -2.423 -7.999 43 2HG1 ILE 13 1HG1 ILE 13 -5.866 -2.123 -6.447 44 1HG2 ILE 13 1HG2 ILE 13 -9.550 -1.156 -6.356 45 2HG2 ILE 13 2HG2 ILE 13 -8.301 -0.885 -7.572 46 3HG2 ILE 13 3HG2 ILE 13 -7.989 -0.486 -5.883 47 1HD1 ILE 13 1HD1 ILE 13 -5.359 -4.296 -7.771 48 2HD1 ILE 13 2HD1 ILE 13 -6.882 -4.851 -7.077 49 3HD1 ILE 13 3HD1 ILE 13 -5.561 -4.358 -6.020 50 H GLY 14 H GLY 14 -9.015 -0.698 -4.184 51 1HA GLY 14 2HA GLY 14 -11.214 -0.131 -3.655 52 2HA GLY 14 1HA GLY 14 -11.644 -1.833 -3.724 53 H LEU 15 H LEU 15 -8.912 -1.456 -1.842 54 HA LEU 15 HA LEU 15 -10.520 -1.591 0.612 55 1HB LEU 15 2HB LEU 15 -7.664 -2.466 0.184 56 2HB LEU 15 1HB LEU 15 -8.650 -2.765 1.604 57 HG LEU 15 HG LEU 15 -9.168 -3.910 -1.142 58 1HD1 LEU 15 1HD1 LEU 15 -7.349 -5.116 -0.467 59 2HD1 LEU 15 2HD1 LEU 15 -8.638 -6.050 0.291 60 3HD1 LEU 15 3HD1 LEU 15 -7.701 -4.902 1.247 61 1HD2 LEU 15 1HD2 LEU 15 -10.955 -5.091 -0.224 62 2HD2 LEU 15 2HD2 LEU 15 -11.132 -3.473 0.454 63 3HD2 LEU 15 3HD2 LEU 15 -10.442 -4.769 1.432 64 H SER 16 H SER 16 -9.415 -0.717 2.591 65 HA SER 16 HA SER 16 -8.350 1.935 1.980 66 1HB SER 16 2HB SER 16 -9.321 0.758 4.600 67 2HB SER 16 1HB SER 16 -8.806 2.427 4.364 68 HG SER 16 HG SER 16 -10.556 2.788 3.078 69 H VAL 17 H VAL 17 -6.497 2.756 3.224 70 HA VAL 17 HA VAL 17 -4.738 0.706 4.331 71 HB VAL 17 HB VAL 17 -3.799 2.579 2.158 72 1HG1 VAL 17 1HG1 VAL 17 -1.948 2.107 3.485 73 2HG1 VAL 17 2HG1 VAL 17 -1.852 0.895 2.209 74 3HG1 VAL 17 3HG1 VAL 17 -2.473 0.452 3.799 75 1HG2 VAL 17 1HG2 VAL 17 -5.114 1.080 0.973 76 2HG2 VAL 17 2HG2 VAL 17 -4.743 -0.260 2.059 77 3HG2 VAL 17 3HG2 VAL 17 -3.524 0.316 0.922 78 H ARG 18 H ARG 18 -3.147 1.480 5.724 79 HA ARG 18 HA ARG 18 -3.223 4.357 6.329 80 1HB ARG 18 2HB ARG 18 -4.619 3.188 7.968 81 2HB ARG 18 1HB ARG 18 -3.284 2.108 8.349 82 1HG ARG 18 2HG ARG 18 -1.990 3.993 9.196 83 2HG ARG 18 1HG ARG 18 -3.316 5.085 8.801 84 1HD ARG 18 2HD ARG 18 -3.440 2.795 10.763 85 2HD ARG 18 1HD ARG 18 -3.286 4.498 11.183 86 HE ARG 18 HE ARG 18 -5.525 4.786 10.756 87 1HH1 ARG 18 1HH1 ARG 18 -4.548 1.609 9.684 88 2HH1 ARG 18 2HH1 ARG 18 -6.158 1.114 9.289 89 1HH2 ARG 18 1HH2 ARG 18 -7.641 4.127 10.249 90 2HH2 ARG 18 2HH2 ARG 18 -7.913 2.539 9.612 91 H ILE 19 H ILE 19 -1.258 5.191 6.129 92 HA ILE 19 HA ILE 19 1.079 3.496 6.087 93 HB ILE 19 HB ILE 19 0.883 6.501 5.834 94 1HG1 ILE 19 2HG1 ILE 19 -0.354 5.362 4.059 95 2HG1 ILE 19 1HG1 ILE 19 1.110 6.101 3.414 96 1HG2 ILE 19 1HG2 ILE 19 3.130 4.909 6.265 97 2HG2 ILE 19 2HG2 ILE 19 3.100 6.584 5.712 98 3HG2 ILE 19 3HG2 ILE 19 3.144 5.268 4.538 99 1HD1 ILE 19 1HD1 ILE 19 2.214 3.858 3.569 100 2HD1 ILE 19 2HD1 ILE 19 0.873 3.937 2.424 101 3HD1 ILE 19 3HD1 ILE 19 0.644 3.180 4.001 102 H ALA 20 H ALA 20 2.203 2.971 7.834 103 HA ALA 20 HA ALA 20 1.970 4.615 10.242 104 1HB ALA 20 1HB ALA 20 2.456 1.771 9.713 105 2HB ALA 20 2HB ALA 20 1.663 2.553 11.082 106 3HB ALA 20 3HB ALA 20 3.425 2.457 11.019 107 H ARG 21 H ARG 21 4.249 3.500 7.883 108 HA ARG 21 HA ARG 21 6.174 5.455 8.774 109 1HB ARG 21 2HB ARG 21 6.867 2.526 8.529 110 2HB ARG 21 1HB ARG 21 8.048 3.815 8.680 111 1HG ARG 21 2HG ARG 21 5.943 3.164 10.731 112 2HG ARG 21 1HG ARG 21 7.624 2.634 10.796 113 1HD ARG 21 2HD ARG 21 8.314 5.027 10.750 114 2HD ARG 21 1HD ARG 21 6.614 5.476 10.864 115 HE ARG 21 HE ARG 21 8.296 4.698 12.995 116 1HH1 ARG 21 1HH1 ARG 21 5.014 4.371 11.855 117 2HH1 ARG 21 2HH1 ARG 21 4.362 4.086 13.432 118 1HH2 ARG 21 1HH2 ARG 21 7.438 4.329 15.069 119 2HH2 ARG 21 2HH2 ARG 21 5.738 4.064 15.258 120 H SER 22 H SER 22 7.549 6.171 7.125 121 HA SER 22 HA SER 22 7.242 4.894 4.504 122 1HB SER 22 2HB SER 22 6.866 7.859 4.979 123 2HB SER 22 1HB SER 22 6.833 7.044 3.415 124 HG SER 22 HG SER 22 5.058 6.516 5.564 125 H VAL 23 H VAL 23 8.803 5.741 2.894 126 HA VAL 23 HA VAL 23 11.426 5.808 4.028 127 HB VAL 23 HB VAL 23 11.001 4.654 1.914 128 1HG1 VAL 23 1HG1 VAL 23 10.357 7.408 0.871 129 2HG1 VAL 23 2HG1 VAL 23 9.279 6.014 0.955 130 3HG1 VAL 23 3HG1 VAL 23 10.649 6.004 -0.156 131 1HG2 VAL 23 1HG2 VAL 23 12.911 6.978 1.826 132 2HG2 VAL 23 2HG2 VAL 23 12.846 5.755 0.555 133 3HG2 VAL 23 3HG2 VAL 23 13.256 5.290 2.207 134 H HIS 24 H HIS 24 9.254 8.164 2.586 135 HA HIS 24 HA HIS 24 11.223 10.276 3.182 136 1HB HIS 24 2HB HIS 24 9.055 10.227 1.073 137 2HB HIS 24 1HB HIS 24 10.043 11.634 1.452 138 HD1 HIS 24 1HD HIS 24 10.351 10.947 -1.324 139 HD2 HIS 24 2HD HIS 24 12.497 8.893 1.580 140 HE1 HIS 24 1HE HIS 24 12.309 9.930 -2.528 141 HE2 HIS 24 2HE HIS 24 13.548 8.623 -0.766 142 H ARG 25 H ARG 25 10.623 11.949 4.457 143 HA ARG 25 HA ARG 25 8.425 11.659 6.178 144 1HB ARG 25 2HB ARG 25 8.997 13.920 6.977 145 2HB ARG 25 1HB ARG 25 10.411 12.883 6.848 146 1HG ARG 25 2HG ARG 25 10.990 13.943 4.720 147 2HG ARG 25 1HG ARG 25 9.580 14.995 4.868 148 1HD ARG 25 2HD ARG 25 10.492 15.931 6.933 149 2HD ARG 25 1HD ARG 25 11.892 14.870 6.801 150 HE ARG 25 HE ARG 25 11.686 16.367 4.444 151 1HH1 ARG 25 1HH1 ARG 25 12.387 16.832 7.830 152 2HH1 ARG 25 2HH1 ARG 25 13.407 18.206 7.559 153 1HH2 ARG 25 1HH2 ARG 25 13.026 18.172 4.085 154 2HH2 ARG 25 2HH2 ARG 25 13.769 18.969 5.432 155 H ASP 26 H ASP 26 8.751 13.219 3.116 156 HA ASP 26 HA ASP 26 6.536 14.963 3.285 157 1HB ASP 26 2HB ASP 26 7.822 13.713 0.850 158 2HB ASP 26 1HB ASP 26 6.689 15.060 0.822 159 H ILE 27 H ILE 27 6.708 11.580 3.038 160 HA ILE 27 HA ILE 27 3.905 11.463 2.222 161 HB ILE 27 HB ILE 27 4.363 9.210 1.296 162 1HG1 ILE 27 2HG1 ILE 27 7.247 9.984 1.799 163 2HG1 ILE 27 1HG1 ILE 27 6.361 8.701 2.615 164 1HG2 ILE 27 1HG2 ILE 27 5.672 11.658 0.194 165 2HG2 ILE 27 2HG2 ILE 27 4.237 10.800 -0.369 166 3HG2 ILE 27 3HG2 ILE 27 5.839 10.118 -0.650 167 1HD1 ILE 27 1HD1 ILE 27 7.859 7.830 0.897 168 2HD1 ILE 27 2HD1 ILE 27 7.007 8.778 -0.323 169 3HD1 ILE 27 3HD1 ILE 27 6.170 7.479 0.525 170 H GLN 28 H GLN 28 5.320 11.547 4.905 171 HA GLN 28 HA GLN 28 4.754 8.954 6.032 172 1HB GLN 28 2HB GLN 28 6.730 10.224 6.758 173 2HB GLN 28 1HB GLN 28 5.689 11.513 7.338 174 1HG GLN 28 2HG GLN 28 6.368 10.242 9.216 175 2HG GLN 28 1HG GLN 28 4.670 9.874 8.918 176 1HE2 GLN 28 1HE2 GLN 28 7.552 8.561 9.694 177 2HE2 GLN 28 2HE2 GLN 28 7.303 6.940 9.153 178 H GLY 29 H GLY 29 3.233 8.539 7.665 179 1HA GLY 29 2HA GLY 29 1.262 8.758 8.821 180 2HA GLY 29 1HA GLY 29 1.465 10.496 8.701 181 H ILE 30 H ILE 30 1.424 8.781 5.717 182 HA ILE 30 HA ILE 30 -0.962 10.127 4.922 183 HB ILE 30 HB ILE 30 0.636 8.020 3.466 184 1HG1 ILE 30 2HG1 ILE 30 0.612 11.038 3.247 185 2HG1 ILE 30 1HG1 ILE 30 1.920 10.053 3.897 186 1HG2 ILE 30 1HG2 ILE 30 -0.546 8.742 1.462 187 2HG2 ILE 30 2HG2 ILE 30 -1.499 9.877 2.417 188 3HG2 ILE 30 3HG2 ILE 30 -1.680 8.141 2.670 189 1HD1 ILE 30 1HD1 ILE 30 0.952 9.748 1.070 190 2HD1 ILE 30 2HD1 ILE 30 2.471 9.200 1.777 191 3HD1 ILE 30 3HD1 ILE 30 2.188 10.923 1.523 192 H SER 31 H SER 31 -2.998 9.399 4.835 193 HA SER 31 HA SER 31 -3.503 6.531 5.197 194 1HB SER 31 2HB SER 31 -3.768 7.577 7.402 195 2HB SER 31 1HB SER 31 -4.892 8.752 6.720 196 HG SER 31 HG SER 31 -6.294 7.020 6.232 197 H GLY 32 H GLY 32 -4.944 5.756 3.760 198 1HA GLY 32 2HA GLY 32 -7.237 7.141 2.892 199 2HA GLY 32 1HA GLY 32 -5.964 7.358 1.703 200 H ARG 33 H ARG 33 -7.456 6.255 0.284 201 HA ARG 33 HA ARG 33 -7.633 3.387 0.740 202 1HB ARG 33 2HB ARG 33 -9.201 5.171 -1.066 203 2HB ARG 33 1HB ARG 33 -9.255 3.422 -1.197 204 1HG ARG 33 2HG ARG 33 -9.979 3.263 1.116 205 2HG ARG 33 1HG ARG 33 -9.958 5.023 1.247 206 1HD ARG 33 2HD ARG 33 -11.682 5.182 -0.468 207 2HD ARG 33 1HD ARG 33 -11.677 3.428 -0.651 208 HE ARG 33 HE ARG 33 -12.184 4.078 2.036 209 1HH1 ARG 33 1HH1 ARG 33 -13.720 4.215 -1.093 210 2HH1 ARG 33 2HH1 ARG 33 -15.323 4.124 -0.450 211 1HH2 ARG 33 1HH2 ARG 33 -14.292 3.956 2.884 212 2HH2 ARG 33 2HH2 ARG 33 -15.649 3.977 1.808 213 H VAL 34 H VAL 34 -7.626 2.105 -1.371 214 HA VAL 34 HA VAL 34 -4.958 2.525 -2.497 215 HB VAL 34 HB VAL 34 -5.414 0.414 -1.303 216 1HG1 VAL 34 1HG1 VAL 34 -7.790 0.249 -2.132 217 2HG1 VAL 34 2HG1 VAL 34 -6.857 -1.247 -2.162 218 3HG1 VAL 34 3HG1 VAL 34 -7.126 -0.344 -3.653 219 1HG2 VAL 34 1HG2 VAL 34 -4.234 -0.975 -2.812 220 2HG2 VAL 34 2HG2 VAL 34 -3.702 0.674 -3.143 221 3HG2 VAL 34 3HG2 VAL 34 -4.864 -0.110 -4.214 222 H VAL 35 H VAL 35 -4.428 2.038 -4.688 223 HA VAL 35 HA VAL 35 -6.680 2.162 -6.584 224 HB VAL 35 HB VAL 35 -4.201 3.167 -7.701 225 1HG1 VAL 35 1HG1 VAL 35 -5.989 5.068 -8.239 226 2HG1 VAL 35 2HG1 VAL 35 -7.060 3.719 -7.884 227 3HG1 VAL 35 3HG1 VAL 35 -5.842 3.562 -9.145 228 1HG2 VAL 35 1HG2 VAL 35 -4.689 4.159 -5.185 229 2HG2 VAL 35 2HG2 VAL 35 -5.316 5.398 -6.264 230 3HG2 VAL 35 3HG2 VAL 35 -3.649 4.864 -6.404 231 H ASP 36 H ASP 36 -3.256 1.470 -6.134 232 HA ASP 36 HA ASP 36 -3.479 -1.122 -7.325 233 1HB ASP 36 2HB ASP 36 -3.299 0.275 -9.342 234 2HB ASP 36 1HB ASP 36 -1.821 0.996 -8.716 235 H GLU 37 H GLU 37 -1.387 -2.306 -7.216 236 HA GLU 37 HA GLU 37 0.467 -1.123 -5.259 237 1HB GLU 37 2HB GLU 37 -0.982 -2.719 -4.093 238 2HB GLU 37 1HB GLU 37 -0.564 -3.967 -5.260 239 1HG GLU 37 2HG GLU 37 1.758 -3.890 -4.522 240 2HG GLU 37 1HG GLU 37 1.349 -2.629 -3.360 241 H THR 38 H THR 38 2.466 -1.007 -6.091 242 HA THR 38 HA THR 38 3.271 -3.084 -8.017 243 HB THR 38 HB THR 38 4.006 -0.155 -8.038 244 HG1 THR 38 1HG THR 38 2.304 0.000 -9.223 245 1HG2 THR 38 1HG2 THR 38 4.802 -2.345 -9.938 246 2HG2 THR 38 2HG2 THR 38 5.871 -1.439 -8.866 247 3HG2 THR 38 3HG2 THR 38 5.060 -0.620 -10.201 248 H ARG 39 H ARG 39 5.580 -3.464 -8.140 249 HA ARG 39 HA ARG 39 6.747 -4.151 -5.763 250 1HB ARG 39 2HB ARG 39 7.420 -4.831 -8.107 251 2HB ARG 39 1HB ARG 39 8.301 -3.316 -8.214 252 1HG ARG 39 2HG ARG 39 8.823 -5.445 -6.153 253 2HG ARG 39 1HG ARG 39 9.714 -5.271 -7.663 254 1HD ARG 39 2HD ARG 39 10.275 -2.924 -6.921 255 2HD ARG 39 1HD ARG 39 9.608 -3.351 -5.349 256 HE ARG 39 HE ARG 39 12.168 -4.029 -6.323 257 1HH1 ARG 39 1HH1 ARG 39 9.541 -5.297 -4.406 258 2HH1 ARG 39 2HH1 ARG 39 10.550 -6.395 -3.527 259 1HH2 ARG 39 1HH2 ARG 39 13.495 -5.468 -5.160 260 2HH2 ARG 39 2HH2 ARG 39 12.792 -6.489 -3.950 261 H ASN 40 H ASN 40 7.445 -1.192 -7.648 262 HA ASN 40 HA ASN 40 8.774 -0.122 -5.257 263 1HB ASN 40 2HB ASN 40 9.944 1.421 -6.750 264 2HB ASN 40 1HB ASN 40 10.216 -0.255 -7.200 265 1HD2 ASN 40 1HD2 ASN 40 7.114 0.520 -8.168 266 2HD2 ASN 40 2HD2 ASN 40 7.458 0.977 -9.790 267 H THR 41 H THR 41 5.754 0.018 -6.054 268 HA THR 41 HA THR 41 5.479 2.717 -5.097 269 HB THR 41 HB THR 41 3.905 3.337 -7.019 270 HG1 THR 41 1HG THR 41 3.715 1.894 -8.501 271 1HG2 THR 41 1HG2 THR 41 6.191 4.297 -6.649 272 2HG2 THR 41 2HG2 THR 41 5.594 4.335 -8.309 273 3HG2 THR 41 3HG2 THR 41 6.783 3.125 -7.827 274 H LEU 42 H LEU 42 3.325 3.308 -4.548 275 HA LEU 42 HA LEU 42 1.407 1.089 -4.439 276 1HB LEU 42 2HB LEU 42 2.687 1.182 -2.323 277 2HB LEU 42 1HB LEU 42 2.157 2.828 -2.087 278 HG LEU 42 HG LEU 42 0.914 1.215 -0.703 279 1HD1 LEU 42 1HD1 LEU 42 -1.026 2.279 -2.722 280 2HD1 LEU 42 2HD1 LEU 42 -0.070 3.386 -1.735 281 3HD1 LEU 42 3HD1 LEU 42 -1.156 2.229 -0.964 282 1HD2 LEU 42 1HD2 LEU 42 0.846 -0.281 -3.102 283 2HD2 LEU 42 2HD2 LEU 42 -0.820 0.130 -2.703 284 3HD2 LEU 42 3HD2 LEU 42 0.183 -0.719 -1.527 285 H ARG 43 H ARG 43 -0.177 1.876 -5.658 286 HA ARG 43 HA ARG 43 -0.837 4.669 -5.721 287 1HB ARG 43 2HB ARG 43 -1.430 2.295 -7.254 288 2HB ARG 43 1HB ARG 43 -2.882 3.212 -6.950 289 1HG ARG 43 2HG ARG 43 -0.393 4.159 -8.327 290 2HG ARG 43 1HG ARG 43 -1.986 3.901 -9.036 291 1HD ARG 43 2HD ARG 43 -2.897 5.733 -7.738 292 2HD ARG 43 1HD ARG 43 -1.348 5.966 -6.929 293 HE ARG 43 HE ARG 43 -0.698 7.213 -8.714 294 1HH1 ARG 43 1HH1 ARG 43 -3.272 5.100 -9.763 295 2HH1 ARG 43 2HH1 ARG 43 -3.290 5.719 -11.379 296 1HH2 ARG 43 1HH2 ARG 43 -0.727 8.031 -10.839 297 2HH2 ARG 43 2HH2 ARG 43 -1.847 7.383 -11.989 298 H ILE 44 H ILE 44 -2.236 5.703 -4.477 299 HA ILE 44 HA ILE 44 -4.023 4.162 -2.715 300 HB ILE 44 HB ILE 44 -2.818 6.917 -2.400 301 1HG1 ILE 44 2HG1 ILE 44 -2.360 4.351 -0.874 302 2HG1 ILE 44 1HG1 ILE 44 -1.250 5.076 -2.032 303 1HG2 ILE 44 1HG2 ILE 44 -5.187 6.533 -1.418 304 2HG2 ILE 44 2HG2 ILE 44 -3.938 7.298 -0.439 305 3HG2 ILE 44 3HG2 ILE 44 -4.324 5.595 -0.197 306 1HD1 ILE 44 1HD1 ILE 44 -1.028 7.030 -0.561 307 2HD1 ILE 44 2HD1 ILE 44 -0.529 5.529 0.221 308 3HD1 ILE 44 3HD1 ILE 44 -2.092 6.247 0.607 309 H GLU 45 H GLU 45 -6.008 4.048 -3.700 310 HA GLU 45 HA GLU 45 -7.198 6.591 -4.548 311 1HB GLU 45 2HB GLU 45 -6.934 5.275 -6.529 312 2HB GLU 45 1HB GLU 45 -7.591 3.845 -5.755 313 1HG GLU 45 2HG GLU 45 -9.745 5.213 -5.498 314 2HG GLU 45 1HG GLU 45 -9.022 6.322 -6.656 315 H MET 46 H MET 46 -9.194 7.032 -4.009 316 HA MET 46 HA MET 46 -10.581 5.319 -2.062 317 1HB MET 46 2HB MET 46 -10.400 8.336 -2.220 318 2HB MET 46 1HB MET 46 -11.468 7.469 -1.125 319 1HG MET 46 2HG MET 46 -9.698 6.647 0.145 320 2HG MET 46 1HG MET 46 -8.518 6.984 -1.118 321 1HE MET 46 1HE MET 46 -7.461 8.772 -1.640 322 2HE MET 46 2HE MET 46 -6.905 9.862 -0.367 323 3HE MET 46 3HE MET 46 -8.144 10.395 -1.500 324 H ASP 47 H ASP 47 -12.578 4.743 -2.543 325 HA ASP 47 HA ASP 47 -13.733 4.837 -4.973 326 1HB ASP 47 2HB ASP 47 -14.537 3.434 -3.134 327 2HB ASP 47 1HB ASP 47 -15.222 4.853 -2.349 328 H ASP 48 H ASP 48 -13.796 7.446 -2.678 329 HA ASP 48 HA ASP 48 -15.984 8.835 -3.806 330 1HB ASP 48 2HB ASP 48 -15.269 10.743 -2.503 331 2HB ASP 48 1HB ASP 48 -15.117 9.285 -1.531 332 H GLY 49 H GLY 49 -12.984 8.183 -5.112 333 1HA GLY 49 2HA GLY 49 -12.489 8.809 -7.350 334 2HA GLY 49 1HA GLY 49 -13.359 10.310 -7.096 335 H ARG 50 H ARG 50 -11.190 9.302 -4.627 336 HA ARG 50 HA ARG 50 -9.336 11.436 -5.452 337 1HB ARG 50 2HB ARG 50 -9.821 10.213 -2.736 338 2HB ARG 50 1HB ARG 50 -8.596 11.427 -3.078 339 1HG ARG 50 2HG ARG 50 -11.552 11.810 -3.484 340 2HG ARG 50 1HG ARG 50 -10.641 12.367 -2.078 341 1HD ARG 50 2HD ARG 50 -9.255 13.760 -3.540 342 2HD ARG 50 1HD ARG 50 -10.169 13.200 -4.940 343 HE ARG 50 HE ARG 50 -11.965 14.286 -3.089 344 1HH1 ARG 50 1HH1 ARG 50 -9.382 15.323 -5.194 345 2HH1 ARG 50 2HH1 ARG 50 -10.028 16.913 -5.412 346 1HH2 ARG 50 1HH2 ARG 50 -12.818 16.378 -3.375 347 2HH2 ARG 50 2HH2 ARG 50 -11.980 17.513 -4.379 348 H GLU 51 H GLU 51 -7.418 10.874 -6.244 349 HA GLU 51 HA GLU 51 -6.312 8.255 -5.459 350 1HB GLU 51 2HB GLU 51 -6.144 9.608 -8.159 351 2HB GLU 51 1HB GLU 51 -5.296 8.131 -7.722 352 1HG GLU 51 2HG GLU 51 -7.408 6.989 -7.397 353 2HG GLU 51 1HG GLU 51 -8.287 8.473 -7.763 354 H ILE 52 H ILE 52 -4.150 8.129 -5.011 355 HA ILE 52 HA ILE 52 -2.366 10.345 -5.527 356 HB ILE 52 HB ILE 52 -3.443 11.102 -3.469 357 1HG1 ILE 52 2HG1 ILE 52 -1.414 11.390 -2.088 358 2HG1 ILE 52 1HG1 ILE 52 -0.613 10.124 -3.017 359 1HG2 ILE 52 1HG2 ILE 52 -3.645 9.880 -1.536 360 2HG2 ILE 52 2HG2 ILE 52 -2.299 8.815 -1.941 361 3HG2 ILE 52 3HG2 ILE 52 -3.849 8.624 -2.758 362 1HD1 ILE 52 1HD1 ILE 52 -1.586 12.766 -4.109 363 2HD1 ILE 52 2HD1 ILE 52 -0.782 11.500 -5.038 364 3HD1 ILE 52 3HD1 ILE 52 0.092 12.342 -3.756 365 H THR 53 H THR 53 -0.268 9.669 -5.681 366 HA THR 53 HA THR 53 0.202 6.812 -5.290 367 HB THR 53 HB THR 53 0.750 7.757 -7.469 368 HG1 THR 53 1HG THR 53 2.095 6.081 -6.495 369 1HG2 THR 53 1HG2 THR 53 3.143 9.185 -6.709 370 2HG2 THR 53 2HG2 THR 53 1.683 9.962 -6.097 371 3HG2 THR 53 3HG2 THR 53 1.855 9.643 -7.823 372 H VAL 54 H VAL 54 1.827 5.948 -4.052 373 HA VAL 54 HA VAL 54 3.650 7.671 -2.597 374 HB VAL 54 HB VAL 54 1.713 5.908 -1.089 375 1HG1 VAL 54 1HG1 VAL 54 3.935 7.718 -0.144 376 2HG1 VAL 54 2HG1 VAL 54 3.864 5.963 -0.001 377 3HG1 VAL 54 3HG1 VAL 54 2.739 6.970 0.912 378 1HG2 VAL 54 1HG2 VAL 54 1.881 8.914 -1.308 379 2HG2 VAL 54 2HG2 VAL 54 0.873 8.047 -0.150 380 3HG2 VAL 54 3HG2 VAL 54 0.571 7.880 -1.880 381 HA PRO 55 HA PRO 55 6.099 4.010 -3.483 382 1HB PRO 55 2HB PRO 55 8.049 5.227 -1.630 383 2HB PRO 55 1HB PRO 55 8.234 4.793 -3.332 384 1HG PRO 55 2HG PRO 55 8.065 7.350 -2.552 385 2HG PRO 55 1HG PRO 55 7.352 6.794 -4.077 386 1HD PRO 55 2HD PRO 55 6.016 7.376 -1.462 387 2HD PRO 55 1HD PRO 55 5.477 7.748 -3.113 388 H LYS 56 H LYS 56 5.736 2.107 -2.530 389 HA LYS 56 HA LYS 56 5.550 1.980 0.393 390 1HB LYS 56 2HB LYS 56 4.481 -0.210 0.052 391 2HB LYS 56 1HB LYS 56 3.629 1.086 -0.770 392 1HG LYS 56 2HG LYS 56 4.583 0.422 -2.889 393 2HG LYS 56 1HG LYS 56 5.559 -0.813 -2.090 394 1HD LYS 56 2HD LYS 56 2.542 -0.736 -2.159 395 2HD LYS 56 1HD LYS 56 3.563 -1.765 -3.163 396 1HE LYS 56 2HE LYS 56 3.385 -1.820 -0.152 397 2HE LYS 56 1HE LYS 56 2.686 -3.002 -1.257 398 1HZ LYS 56 1HZ LYS 56 5.397 -2.740 -0.326 399 2HZ LYS 56 2HZ LYS 56 5.280 -2.961 -1.998 400 3HZ LYS 56 3HZ LYS 56 4.591 -4.092 -0.946 401 H GLY 57 H GLY 57 7.888 1.493 -1.896 402 1HA GLY 57 2HA GLY 57 9.021 -0.967 -1.443 403 2HA GLY 57 1HA GLY 57 9.958 0.485 -1.754 404 H ILE 58 H ILE 58 8.834 1.671 0.788 405 HA ILE 58 HA ILE 58 9.970 0.009 2.841 406 HB ILE 58 HB ILE 58 11.067 2.788 2.428 407 1HG1 ILE 58 2HG1 ILE 58 13.253 1.467 2.020 408 2HG1 ILE 58 1HG1 ILE 58 12.200 0.096 1.692 409 1HG2 ILE 58 1HG2 ILE 58 12.406 2.442 4.297 410 2HG2 ILE 58 2HG2 ILE 58 12.190 0.692 4.250 411 3HG2 ILE 58 3HG2 ILE 58 10.865 1.730 4.766 412 1HD1 ILE 58 1HD1 ILE 58 11.192 2.225 0.178 413 2HD1 ILE 58 2HD1 ILE 58 12.045 0.792 -0.397 414 3HD1 ILE 58 3HD1 ILE 58 12.944 2.261 -0.015 415 H ALA 59 H ALA 59 7.438 0.360 2.864 416 HA ALA 59 HA ALA 59 6.989 2.367 4.925 417 1HB ALA 59 1HB ALA 59 5.044 2.239 2.658 418 2HB ALA 59 2HB ALA 59 6.462 3.288 2.598 419 3HB ALA 59 3HB ALA 59 5.259 3.503 3.869 420 H VAL 60 H VAL 60 6.208 1.249 6.602 421 HA VAL 60 HA VAL 60 4.649 -1.142 6.297 422 HB VAL 60 HB VAL 60 6.109 -0.834 8.254 423 1HG1 VAL 60 1HG1 VAL 60 5.065 1.709 8.350 424 2HG1 VAL 60 2HG1 VAL 60 6.056 0.951 9.597 425 3HG1 VAL 60 3HG1 VAL 60 4.298 0.911 9.723 426 1HG2 VAL 60 1HG2 VAL 60 3.159 -1.149 8.788 427 2HG2 VAL 60 2HG2 VAL 60 4.403 -1.466 9.999 428 3HG2 VAL 60 3HG2 VAL 60 4.356 -2.417 8.515 429 H PHE 61 H PHE 61 2.463 -1.358 6.249 430 HA PHE 61 HA PHE 61 0.773 0.749 7.260 431 1HB PHE 61 2HB PHE 61 -0.405 1.124 5.120 432 2HB PHE 61 1HB PHE 61 1.273 1.649 5.064 433 HD1 PHE 61 1HD PHE 61 -0.752 -1.410 4.325 434 HD2 PHE 61 2HD PHE 61 2.479 1.122 3.197 435 HE1 PHE 61 1HE PHE 61 -0.383 -2.781 2.318 436 HE2 PHE 61 2HE PHE 61 2.851 -0.243 1.185 437 HZ PHE 61 HZ PHE 61 1.418 -2.197 0.743 438 H HIS 62 H HIS 62 -1.348 0.155 7.566 439 HA HIS 62 HA HIS 62 -1.899 -2.719 7.229 440 1HB HIS 62 2HB HIS 62 -3.175 -0.821 9.209 441 2HB HIS 62 1HB HIS 62 -3.307 -2.575 9.181 442 HD1 HIS 62 1HD HIS 62 -0.673 -3.700 9.345 443 HD2 HIS 62 2HD HIS 62 -1.475 -0.036 11.131 444 HE1 HIS 62 1HE HIS 62 1.125 -3.387 11.072 445 HE2 HIS 62 2HE HIS 62 0.566 -1.206 12.203 446 H PHE 63 H PHE 63 -3.526 -3.251 5.851 447 HA PHE 63 HA PHE 63 -5.299 -1.062 5.004 448 1HB PHE 63 2HB PHE 63 -5.584 -2.176 2.901 449 2HB PHE 63 1HB PHE 63 -3.863 -2.100 3.249 450 HD1 PHE 63 1HD PHE 63 -2.586 -4.000 3.016 451 HD2 PHE 63 2HD PHE 63 -6.787 -4.385 3.578 452 HE1 PHE 63 1HE PHE 63 -2.416 -6.418 2.604 453 HE2 PHE 63 2HE PHE 63 -6.622 -6.806 3.175 454 HZ PHE 63 HZ PHE 63 -4.435 -7.827 2.686 455 H ARG 64 H ARG 64 -7.436 -1.184 5.190 456 HA ARG 64 HA ARG 64 -8.531 -3.497 6.615 457 1HB ARG 64 2HB ARG 64 -9.634 -0.714 6.177 458 2HB ARG 64 1HB ARG 64 -10.464 -1.986 7.061 459 1HG ARG 64 2HG ARG 64 -7.780 -0.853 7.820 460 2HG ARG 64 1HG ARG 64 -9.322 -0.346 8.511 461 1HD ARG 64 2HD ARG 64 -8.148 -3.122 8.623 462 2HD ARG 64 1HD ARG 64 -8.200 -1.964 9.952 463 HE ARG 64 HE ARG 64 -10.278 -3.707 9.155 464 1HH1 ARG 64 1HH1 ARG 64 -9.722 -0.480 10.367 465 2HH1 ARG 64 2HH1 ARG 64 -11.299 -0.337 11.063 466 1HH2 ARG 64 1HH2 ARG 64 -12.351 -3.519 10.075 467 2HH2 ARG 64 2HH2 ARG 64 -12.791 -2.061 10.901 468 H THR 65 H THR 65 -10.626 -4.335 6.016 469 HA THR 65 HA THR 65 -11.170 -4.072 3.132 470 HB THR 65 HB THR 65 -11.647 -6.473 4.906 471 HG1 THR 65 1HG THR 65 -9.717 -6.032 2.875 472 1HG2 THR 65 1HG2 THR 65 -11.693 -6.583 1.937 473 2HG2 THR 65 2HG2 THR 65 -13.130 -6.044 2.805 474 3HG2 THR 65 3HG2 THR 65 -12.457 -7.644 3.121 475 HA PRO 66 HA PRO 66 -15.110 -2.255 4.003 476 1HB PRO 66 2HB PRO 66 -16.005 -4.189 1.901 477 2HB PRO 66 1HB PRO 66 -16.359 -2.464 2.065 478 1HG PRO 66 2HG PRO 66 -14.539 -3.308 0.320 479 2HG PRO 66 1HG PRO 66 -14.282 -1.824 1.255 480 1HD PRO 66 2HD PRO 66 -13.016 -4.496 1.554 481 2HD PRO 66 1HD PRO 66 -12.360 -2.886 1.914 482 H GLN 67 H GLN 67 -14.922 -5.779 3.628 483 HA GLN 67 HA GLN 67 -17.366 -6.370 4.902 484 1HB GLN 67 2HB GLN 67 -14.861 -8.010 4.525 485 2HB GLN 67 1HB GLN 67 -16.327 -8.652 5.255 486 1HG GLN 67 2HG GLN 67 -16.194 -9.265 2.921 487 2HG GLN 67 1HG GLN 67 -17.559 -8.185 3.200 488 1HE2 GLN 67 1HE2 GLN 67 -17.811 -6.718 1.693 489 2HE2 GLN 67 2HE2 GLN 67 -16.559 -5.996 0.744 490 H GLY 68 H GLY 68 -14.416 -5.226 6.146 491 1HA GLY 68 2HA GLY 68 -14.308 -4.417 8.394 492 2HA GLY 68 1HA GLY 68 -15.389 -5.718 8.875 493 H GLU 69 H GLU 69 -12.341 -5.670 7.018 494 HA GLU 69 HA GLU 69 -11.250 -7.543 9.027 495 1HB GLU 69 2HB GLU 69 -10.693 -7.570 6.057 496 2HB GLU 69 1HB GLU 69 -10.025 -8.677 7.247 497 1HG GLU 69 2HG GLU 69 -12.932 -8.419 6.512 498 2HG GLU 69 1HG GLU 69 -11.838 -9.703 5.998 499 H LEU 70 H LEU 70 -8.955 -7.535 9.311 500 HA LEU 70 HA LEU 70 -7.661 -5.011 8.516 501 1HB LEU 70 2HB LEU 70 -8.233 -4.831 10.840 502 2HB LEU 70 1HB LEU 70 -7.580 -6.422 11.180 503 HG LEU 70 HG LEU 70 -5.313 -5.603 10.723 504 1HD1 LEU 70 1HD1 LEU 70 -4.818 -3.369 10.192 505 2HD1 LEU 70 2HD1 LEU 70 -6.459 -2.833 10.544 506 3HD1 LEU 70 3HD1 LEU 70 -6.139 -3.810 9.111 507 1HD2 LEU 70 1HD2 LEU 70 -6.847 -3.915 12.700 508 2HD2 LEU 70 2HD2 LEU 70 -5.099 -4.149 12.685 509 3HD2 LEU 70 3HD2 LEU 70 -6.170 -5.515 13.003 510 H VAL 71 H VAL 71 -5.733 -5.210 7.557 511 HA VAL 71 HA VAL 71 -4.265 -7.744 7.876 512 HB VAL 71 HB VAL 71 -4.580 -6.260 5.269 513 1HG1 VAL 71 1HG1 VAL 71 -2.923 -8.539 6.164 514 2HG1 VAL 71 2HG1 VAL 71 -2.604 -7.316 4.934 515 3HG1 VAL 71 3HG1 VAL 71 -3.669 -8.674 4.571 516 1HG2 VAL 71 1HG2 VAL 71 -5.896 -8.243 4.560 517 2HG2 VAL 71 2HG2 VAL 71 -6.677 -7.297 5.827 518 3HG2 VAL 71 3HG2 VAL 71 -5.868 -8.812 6.229 519 H GLU 72 H GLU 72 -2.009 -7.617 7.683 520 HA GLU 72 HA GLU 72 -0.926 -4.887 7.877 521 1HB GLU 72 2HB GLU 72 -0.745 -6.102 9.984 522 2HB GLU 72 1HB GLU 72 0.067 -7.431 9.170 523 1HG GLU 72 2HG GLU 72 1.935 -5.943 8.626 524 2HG GLU 72 1HG GLU 72 1.123 -4.629 9.473 525 H ILE 73 H ILE 73 0.715 -4.294 6.587 526 HA ILE 73 HA ILE 73 2.210 -6.319 5.102 527 HB ILE 73 HB ILE 73 0.780 -4.024 3.743 528 1HG1 ILE 73 2HG1 ILE 73 -0.720 -5.890 4.356 529 2HG1 ILE 73 1HG1 ILE 73 -0.534 -5.736 2.611 530 1HG2 ILE 73 1HG2 ILE 73 1.979 -6.104 2.078 531 2HG2 ILE 73 2HG2 ILE 73 3.154 -5.166 3.000 532 3HG2 ILE 73 3HG2 ILE 73 2.030 -4.348 1.915 533 1HD1 ILE 73 1HD1 ILE 73 -0.484 -8.080 3.614 534 2HD1 ILE 73 2HD1 ILE 73 1.127 -7.662 4.198 535 3HD1 ILE 73 3HD1 ILE 73 0.788 -7.657 2.468 536 H ASP 74 H ASP 74 4.176 -5.809 5.926 537 HA ASP 74 HA ASP 74 4.924 -3.102 6.461 538 1HB ASP 74 2HB ASP 74 7.167 -4.115 6.992 539 2HB ASP 74 1HB ASP 74 5.816 -4.757 7.918 540 H GLY 75 H GLY 75 5.045 -1.845 4.728 541 1HA GLY 75 2HA GLY 75 5.931 -2.463 2.178 542 2HA GLY 75 1HA GLY 75 5.933 -0.855 2.871 543 H ARG 76 H ARG 76 7.814 -2.267 5.003 544 HA ARG 76 HA ARG 76 10.197 -1.271 3.854 545 1HB ARG 76 2HB ARG 76 9.611 -1.297 6.309 546 2HB ARG 76 1HB ARG 76 9.957 -3.017 6.292 547 1HG ARG 76 2HG ARG 76 11.944 -0.878 5.557 548 2HG ARG 76 1HG ARG 76 11.808 -1.612 7.154 549 1HD ARG 76 2HD ARG 76 12.211 -3.834 6.069 550 2HD ARG 76 1HD ARG 76 12.549 -2.971 4.569 551 HE ARG 76 HE ARG 76 14.162 -1.887 6.573 552 1HH1 ARG 76 1HH1 ARG 76 13.784 -4.882 4.822 553 2HH1 ARG 76 2HH1 ARG 76 15.454 -5.317 4.955 554 1HH2 ARG 76 1HH2 ARG 76 16.360 -2.456 6.750 555 2HH2 ARG 76 2HH2 ARG 76 16.917 -3.940 6.050 556 H ALA 77 H ALA 77 9.487 -4.522 5.023 557 HA ALA 77 HA ALA 77 11.453 -5.570 3.160 558 1HB ALA 77 1HB ALA 77 12.063 -6.422 5.175 559 2HB ALA 77 2HB ALA 77 10.987 -7.706 4.628 560 3HB ALA 77 3HB ALA 77 10.404 -6.492 5.767 561 H LEU 78 H LEU 78 8.055 -5.624 3.775 562 HA LEU 78 HA LEU 78 7.366 -8.015 2.502 563 1HB LEU 78 2HB LEU 78 5.834 -6.613 3.884 564 2HB LEU 78 1HB LEU 78 5.733 -5.482 2.550 565 HG LEU 78 HG LEU 78 3.785 -7.036 2.756 566 1HD1 LEU 78 1HD1 LEU 78 3.429 -6.828 0.565 567 2HD1 LEU 78 2HD1 LEU 78 4.830 -7.814 0.151 568 3HD1 LEU 78 3HD1 LEU 78 5.032 -6.098 0.497 569 1HD2 LEU 78 1HD2 LEU 78 5.446 -8.978 3.335 570 2HD2 LEU 78 2HD2 LEU 78 5.466 -9.199 1.587 571 3HD2 LEU 78 3HD2 LEU 78 3.944 -9.304 2.471 572 H VAL 79 H VAL 79 8.254 -4.934 1.198 573 HA VAL 79 HA VAL 79 7.194 -5.061 -1.356 574 HB VAL 79 HB VAL 79 8.373 -3.090 -0.521 575 1HG1 VAL 79 1HG1 VAL 79 10.402 -4.914 0.113 576 2HG1 VAL 79 2HG1 VAL 79 10.408 -3.168 0.358 577 3HG1 VAL 79 3HG1 VAL 79 11.075 -3.851 -1.123 578 1HG2 VAL 79 1HG2 VAL 79 10.108 -3.424 -2.775 579 2HG2 VAL 79 2HG2 VAL 79 8.631 -2.471 -2.638 580 3HG2 VAL 79 3HG2 VAL 79 8.544 -4.164 -3.117 581 H ALA 80 H ALA 80 7.211 -6.959 -2.435 582 HA ALA 80 HA ALA 80 9.808 -8.274 -2.875 583 1HB ALA 80 1HB ALA 80 8.250 -9.759 -1.829 584 2HB ALA 80 2HB ALA 80 8.455 -10.269 -3.504 585 3HB ALA 80 3HB ALA 80 7.010 -9.380 -3.025 586 H ARG 81 H ARG 81 10.402 -8.922 -4.971 587 HA ARG 81 HA ARG 81 9.847 -7.140 -7.033 588 1HB ARG 81 2HB ARG 81 11.108 -8.586 -8.459 589 2HB ARG 81 1HB ARG 81 11.847 -8.647 -6.867 590 1HG ARG 81 2HG ARG 81 10.017 -10.723 -8.058 591 2HG ARG 81 1HG ARG 81 11.765 -10.847 -7.879 592 1HD ARG 81 2HD ARG 81 11.485 -10.664 -5.425 593 2HD ARG 81 1HD ARG 81 9.736 -10.660 -5.656 594 HE ARG 81 HE ARG 81 10.782 -12.922 -6.922 595 1HH1 ARG 81 1HH1 ARG 81 10.375 -11.645 -3.699 596 2HH1 ARG 81 2HH1 ARG 81 10.274 -13.208 -2.959 597 1HH2 ARG 81 1HH2 ARG 81 10.651 -14.977 -5.949 598 2HH2 ARG 81 2HH2 ARG 81 10.431 -15.099 -4.235 599 HA PRO 82 HA PRO 82 6.042 -8.162 -8.981 600 1HB PRO 82 2HB PRO 82 6.999 -8.704 -11.584 601 2HB PRO 82 1HB PRO 82 6.401 -7.160 -10.977 602 1HG PRO 82 2HG PRO 82 9.197 -8.128 -11.266 603 2HG PRO 82 1HG PRO 82 8.552 -6.484 -11.418 604 1HD PRO 82 2HD PRO 82 9.945 -7.236 -9.261 605 2HD PRO 82 1HD PRO 82 8.554 -6.140 -9.119 606 H GLU 83 H GLU 83 4.811 -9.936 -9.565 607 HA GLU 83 HA GLU 83 5.887 -12.484 -8.927 608 1HB GLU 83 2HB GLU 83 3.229 -11.708 -10.137 609 2HB GLU 83 1HB GLU 83 3.641 -13.339 -9.625 610 1HG GLU 83 2HG GLU 83 2.383 -12.421 -7.876 611 2HG GLU 83 1HG GLU 83 4.057 -12.375 -7.329 612 H GLU 84 H GLU 84 5.880 -10.692 -11.806 613 HA GLU 84 HA GLU 84 5.944 -13.031 -13.532 614 1HB GLU 84 2HB GLU 84 6.145 -11.407 -15.370 615 2HB GLU 84 1HB GLU 84 4.762 -11.065 -14.340 616 1HG GLU 84 2HG GLU 84 6.041 -9.306 -13.217 617 2HG GLU 84 1HG GLU 84 7.414 -9.643 -14.271 618 H ARG 85 H ARG 85 8.123 -10.389 -12.566 619 HA ARG 85 HA ARG 85 10.395 -12.139 -13.195 620 1HB ARG 85 2HB ARG 85 10.124 -9.242 -14.009 621 2HB ARG 85 1HB ARG 85 11.616 -10.164 -14.110 622 1HG ARG 85 2HG ARG 85 9.105 -10.989 -15.536 623 2HG ARG 85 1HG ARG 85 10.295 -9.899 -16.246 624 1HD ARG 85 2HD ARG 85 10.813 -12.065 -17.046 625 2HD ARG 85 1HD ARG 85 12.019 -11.685 -15.820 626 HE ARG 85 HE ARG 85 9.868 -13.087 -14.654 627 1HH1 ARG 85 1HH1 ARG 85 12.599 -13.576 -16.768 628 2HH1 ARG 85 2HH1 ARG 85 12.778 -15.248 -16.355 629 1HH2 ARG 85 1HH2 ARG 85 10.102 -15.286 -14.107 630 2HH2 ARG 85 2HH2 ARG 85 11.360 -16.219 -14.845 631 H ILE 86 H ILE 86 12.485 -11.088 -12.337 632 HA ILE 86 HA ILE 86 11.945 -9.995 -9.647 633 HB ILE 86 HB ILE 86 14.305 -11.688 -10.492 634 1HG1 ILE 86 2HG1 ILE 86 11.851 -12.453 -8.890 635 2HG1 ILE 86 1HG1 ILE 86 12.227 -12.995 -10.522 636 1HG2 ILE 86 1HG2 ILE 86 13.642 -11.463 -7.654 637 2HG2 ILE 86 2HG2 ILE 86 14.129 -9.941 -8.400 638 3HG2 ILE 86 3HG2 ILE 86 15.200 -11.340 -8.471 639 1HD1 ILE 86 1HD1 ILE 86 14.467 -13.738 -9.187 640 2HD1 ILE 86 2HD1 ILE 86 13.075 -14.779 -9.487 641 3HD1 ILE 86 3HD1 ILE 86 13.230 -13.938 -7.945 Start of MODEL 3 1 H ARG 9 H ARG 9 -11.383 -8.917 -8.988 2 HA ARG 9 HA ARG 9 -13.332 -9.865 -7.129 3 1HB ARG 9 2HB ARG 9 -11.281 -11.128 -7.615 4 2HB ARG 9 1HB ARG 9 -10.314 -9.829 -6.934 5 1HG ARG 9 2HG ARG 9 -11.291 -10.215 -4.745 6 2HG ARG 9 1HG ARG 9 -12.321 -11.482 -5.415 7 1HD ARG 9 2HD ARG 9 -10.325 -12.764 -6.033 8 2HD ARG 9 1HD ARG 9 -9.305 -11.500 -5.348 9 HE ARG 9 HE ARG 9 -11.087 -12.350 -3.371 10 1HH1 ARG 9 1HH1 ARG 9 -8.388 -13.595 -5.201 11 2HH1 ARG 9 2HH1 ARG 9 -7.887 -14.687 -3.955 12 1HH2 ARG 9 1HH2 ARG 9 -10.429 -13.786 -1.730 13 2HH2 ARG 9 2HH2 ARG 9 -9.045 -14.797 -1.985 14 H HIS 10 H HIS 10 -13.208 -9.433 -4.772 15 HA HIS 10 HA HIS 10 -12.466 -6.632 -4.239 16 1HB HIS 10 2HB HIS 10 -14.401 -6.480 -2.727 17 2HB HIS 10 1HB HIS 10 -14.894 -6.840 -4.377 18 HD1 HIS 10 1HD HIS 10 -15.138 -9.637 -4.738 19 HD2 HIS 10 2HD HIS 10 -15.693 -8.029 -0.946 20 HE1 HIS 10 1HE HIS 10 -16.435 -11.369 -3.457 21 HE2 HIS 10 2HE HIS 10 -16.824 -10.342 -1.190 22 H GLU 11 H GLU 11 -10.909 -6.471 -2.789 23 HA GLU 11 HA GLU 11 -11.007 -7.793 -0.278 24 1HB GLU 11 2HB GLU 11 -10.186 -9.658 -1.699 25 2HB GLU 11 1HB GLU 11 -8.804 -8.674 -2.153 26 1HG GLU 11 2HG GLU 11 -8.139 -10.219 -0.452 27 2HG GLU 11 1HG GLU 11 -8.127 -8.591 0.220 28 H LEU 12 H LEU 12 -8.859 -6.232 -2.643 29 HA LEU 12 HA LEU 12 -7.813 -4.563 -0.450 30 1HB LEU 12 2HB LEU 12 -6.435 -5.370 -3.012 31 2HB LEU 12 1HB LEU 12 -5.785 -4.240 -1.841 32 HG LEU 12 HG LEU 12 -5.921 -6.153 -0.152 33 1HD1 LEU 12 1HD1 LEU 12 -5.751 -8.412 -1.225 34 2HD1 LEU 12 2HD1 LEU 12 -6.334 -7.673 -2.715 35 3HD1 LEU 12 3HD1 LEU 12 -7.351 -7.676 -1.278 36 1HD2 LEU 12 1HD2 LEU 12 -4.022 -6.589 -2.445 37 2HD2 LEU 12 2HD2 LEU 12 -3.763 -6.935 -0.734 38 3HD2 LEU 12 3HD2 LEU 12 -3.857 -5.265 -1.293 39 H ILE 13 H ILE 13 -9.014 -4.633 -3.746 40 HA ILE 13 HA ILE 13 -8.692 -1.802 -4.149 41 HB ILE 13 HB ILE 13 -10.296 -3.796 -5.757 42 1HG1 ILE 13 2HG1 ILE 13 -7.921 -4.386 -5.675 43 2HG1 ILE 13 1HG1 ILE 13 -8.360 -3.804 -7.277 44 1HG2 ILE 13 1HG2 ILE 13 -9.724 -1.938 -7.540 45 2HG2 ILE 13 2HG2 ILE 13 -9.664 -0.912 -6.108 46 3HG2 ILE 13 3HG2 ILE 13 -11.137 -1.802 -6.492 47 1HD1 ILE 13 1HD1 ILE 13 -6.494 -2.586 -7.056 48 2HD1 ILE 13 2HD1 ILE 13 -6.514 -2.682 -5.295 49 3HD1 ILE 13 3HD1 ILE 13 -7.535 -1.509 -6.127 50 H GLY 14 H GLY 14 -9.998 -0.293 -3.357 51 1HA GLY 14 2HA GLY 14 -12.278 0.603 -3.343 52 2HA GLY 14 1HA GLY 14 -12.827 -1.003 -2.885 53 H LEU 15 H LEU 15 -10.498 -1.269 -1.015 54 HA LEU 15 HA LEU 15 -11.771 0.077 1.227 55 1HB LEU 15 2HB LEU 15 -10.257 -1.332 2.607 56 2HB LEU 15 1HB LEU 15 -11.338 -2.237 1.568 57 HG LEU 15 HG LEU 15 -9.475 -2.616 -0.014 58 1HD1 LEU 15 1HD1 LEU 15 -7.945 -0.922 0.191 59 2HD1 LEU 15 2HD1 LEU 15 -7.156 -2.191 1.126 60 3HD1 LEU 15 3HD1 LEU 15 -8.033 -0.905 1.951 61 1HD2 LEU 15 1HD2 LEU 15 -9.951 -4.311 1.613 62 2HD2 LEU 15 2HD2 LEU 15 -9.012 -3.459 2.840 63 3HD2 LEU 15 3HD2 LEU 15 -8.202 -4.165 1.443 64 H SER 16 H SER 16 -10.324 0.990 2.954 65 HA SER 16 HA SER 16 -8.502 2.880 1.704 66 1HB SER 16 2HB SER 16 -9.512 2.701 4.555 67 2HB SER 16 1HB SER 16 -8.532 4.013 3.902 68 HG SER 16 HG SER 16 -10.728 4.559 3.854 69 H VAL 17 H VAL 17 -6.396 3.346 2.651 70 HA VAL 17 HA VAL 17 -5.179 1.058 4.031 71 HB VAL 17 HB VAL 17 -4.574 0.760 1.730 72 1HG1 VAL 17 1HG1 VAL 17 -4.255 3.689 1.787 73 2HG1 VAL 17 2HG1 VAL 17 -4.810 2.629 0.491 74 3HG1 VAL 17 3HG1 VAL 17 -3.083 2.802 0.813 75 1HG2 VAL 17 1HG2 VAL 17 -2.260 2.031 3.193 76 2HG2 VAL 17 2HG2 VAL 17 -2.145 0.908 1.838 77 3HG2 VAL 17 3HG2 VAL 17 -2.806 0.365 3.380 78 H ARG 18 H ARG 18 -4.142 1.659 5.809 79 HA ARG 18 HA ARG 18 -3.381 4.483 6.097 80 1HB ARG 18 2HB ARG 18 -4.983 3.665 7.757 81 2HB ARG 18 1HB ARG 18 -3.873 2.380 8.213 82 1HG ARG 18 2HG ARG 18 -2.271 4.028 9.015 83 2HG ARG 18 1HG ARG 18 -3.357 5.330 8.529 84 1HD ARG 18 2HD ARG 18 -5.049 4.493 10.094 85 2HD ARG 18 1HD ARG 18 -3.950 3.204 10.585 86 HE ARG 18 HE ARG 18 -2.644 5.648 10.940 87 1HH1 ARG 18 1HH1 ARG 18 -5.352 3.887 12.261 88 2HH1 ARG 18 2HH1 ARG 18 -5.215 4.609 13.830 89 1HH2 ARG 18 1HH2 ARG 18 -2.463 6.597 13.001 90 2HH2 ARG 18 2HH2 ARG 18 -3.576 6.148 14.250 91 H ILE 19 H ILE 19 -1.311 5.010 6.076 92 HA ILE 19 HA ILE 19 0.699 2.902 6.249 93 HB ILE 19 HB ILE 19 0.932 5.784 5.374 94 1HG1 ILE 19 2HG1 ILE 19 1.321 4.799 3.140 95 2HG1 ILE 19 1HG1 ILE 19 1.040 3.195 3.809 96 1HG2 ILE 19 1HG2 ILE 19 3.177 4.512 4.461 97 2HG2 ILE 19 2HG2 ILE 19 2.965 3.803 6.062 98 3HG2 ILE 19 3HG2 ILE 19 3.099 5.552 5.883 99 1HD1 ILE 19 1HD1 ILE 19 -0.879 4.378 2.544 100 2HD1 ILE 19 2HD1 ILE 19 -1.060 5.321 4.023 101 3HD1 ILE 19 3HD1 ILE 19 -1.243 3.569 4.070 102 H ALA 20 H ALA 20 1.783 2.552 8.059 103 HA ALA 20 HA ALA 20 1.671 4.502 10.217 104 1HB ALA 20 1HB ALA 20 3.054 2.456 11.284 105 2HB ALA 20 2HB ALA 20 2.176 1.604 10.013 106 3HB ALA 20 3HB ALA 20 1.291 2.520 11.233 107 H ARG 21 H ARG 21 3.850 3.407 7.810 108 HA ARG 21 HA ARG 21 5.815 5.327 8.596 109 1HB ARG 21 2HB ARG 21 6.353 3.318 10.017 110 2HB ARG 21 1HB ARG 21 6.663 2.432 8.530 111 1HG ARG 21 2HG ARG 21 8.753 3.146 9.396 112 2HG ARG 21 1HG ARG 21 8.402 4.126 7.969 113 1HD ARG 21 2HD ARG 21 9.280 5.514 9.772 114 2HD ARG 21 1HD ARG 21 7.605 5.940 9.418 115 HE ARG 21 HE ARG 21 7.603 4.047 11.470 116 1HH1 ARG 21 1HH1 ARG 21 8.626 7.340 10.937 117 2HH1 ARG 21 2HH1 ARG 21 8.406 7.807 12.590 118 1HH2 ARG 21 1HH2 ARG 21 7.313 4.659 13.642 119 2HH2 ARG 21 2HH2 ARG 21 7.662 6.285 14.125 120 H SER 22 H SER 22 7.332 5.746 6.945 121 HA SER 22 HA SER 22 7.007 4.252 4.449 122 1HB SER 22 2HB SER 22 6.750 7.259 4.664 123 2HB SER 22 1HB SER 22 6.815 6.349 3.155 124 HG SER 22 HG SER 22 4.841 5.564 3.516 125 H VAL 23 H VAL 23 8.675 4.843 2.814 126 HA VAL 23 HA VAL 23 11.247 4.614 3.871 127 HB VAL 23 HB VAL 23 10.653 3.933 1.578 128 1HG1 VAL 23 1HG1 VAL 23 9.242 5.919 1.069 129 2HG1 VAL 23 2HG1 VAL 23 10.402 5.527 -0.200 130 3HG1 VAL 23 3HG1 VAL 23 10.718 6.870 0.898 131 1HG2 VAL 23 1HG2 VAL 23 12.721 4.569 0.527 132 2HG2 VAL 23 2HG2 VAL 23 13.013 4.345 2.252 133 3HG2 VAL 23 3HG2 VAL 23 12.877 5.971 1.585 134 H HIS 24 H HIS 24 9.566 7.466 2.581 135 HA HIS 24 HA HIS 24 11.735 9.152 3.636 136 1HB HIS 24 2HB HIS 24 9.647 9.740 1.528 137 2HB HIS 24 1HB HIS 24 10.795 10.922 2.142 138 HD1 HIS 24 1HD HIS 24 11.090 10.639 -0.712 139 HD2 HIS 24 2HD HIS 24 12.879 7.909 1.858 140 HE1 HIS 24 1HE HIS 24 12.942 9.580 -2.041 141 HE2 HIS 24 2HE HIS 24 13.957 7.872 -0.493 142 H ARG 25 H ARG 25 11.338 10.668 5.160 143 HA ARG 25 HA ARG 25 9.106 10.412 6.824 144 1HB ARG 25 2HB ARG 25 11.038 12.724 6.593 145 2HB ARG 25 1HB ARG 25 9.926 12.461 7.931 146 1HG ARG 25 2HG ARG 25 11.063 10.364 8.466 147 2HG ARG 25 1HG ARG 25 12.180 10.632 7.125 148 1HD ARG 25 2HD ARG 25 11.842 12.420 9.532 149 2HD ARG 25 1HD ARG 25 13.172 11.293 9.262 150 HE ARG 25 HE ARG 25 13.030 13.034 7.076 151 1HH1 ARG 25 1HH1 ARG 25 13.793 13.113 10.481 152 2HH1 ARG 25 2HH1 ARG 25 14.891 14.443 10.331 153 1HH2 ARG 25 1HH2 ARG 25 14.473 14.785 6.878 154 2HH2 ARG 25 2HH2 ARG 25 15.277 15.393 8.287 155 H ASP 26 H ASP 26 9.523 12.217 3.938 156 HA ASP 26 HA ASP 26 7.486 14.149 4.461 157 1HB ASP 26 2HB ASP 26 8.808 13.344 1.865 158 2HB ASP 26 1HB ASP 26 7.748 14.735 2.073 159 H ILE 27 H ILE 27 7.313 10.892 3.833 160 HA ILE 27 HA ILE 27 4.588 11.168 2.838 161 HB ILE 27 HB ILE 27 4.896 9.139 1.446 162 1HG1 ILE 27 2HG1 ILE 27 7.814 9.569 2.120 163 2HG1 ILE 27 1HG1 ILE 27 6.827 8.198 2.609 164 1HG2 ILE 27 1HG2 ILE 27 6.458 11.634 0.884 165 2HG2 ILE 27 2HG2 ILE 27 4.911 11.114 0.218 166 3HG2 ILE 27 3HG2 ILE 27 6.400 10.313 -0.284 167 1HD1 ILE 27 1HD1 ILE 27 7.090 7.161 0.645 168 2HD1 ILE 27 2HD1 ILE 27 8.458 8.254 0.436 169 3HD1 ILE 27 3HD1 ILE 27 6.895 8.649 -0.280 170 H GLN 28 H GLN 28 6.304 10.247 5.391 171 HA GLN 28 HA GLN 28 5.106 7.663 5.838 172 1HB GLN 28 2HB GLN 28 6.363 7.626 7.910 173 2HB GLN 28 1HB GLN 28 7.413 8.120 6.589 174 1HG GLN 28 2HG GLN 28 7.177 10.452 7.271 175 2HG GLN 28 1HG GLN 28 6.124 9.959 8.593 176 1HE2 GLN 28 1HE2 GLN 28 8.442 7.605 8.224 177 2HE2 GLN 28 2HE2 GLN 28 9.578 8.158 9.398 178 H GLY 29 H GLY 29 3.612 7.163 7.451 179 1HA GLY 29 2HA GLY 29 1.914 7.528 8.967 180 2HA GLY 29 1HA GLY 29 2.513 9.164 9.178 181 H ILE 30 H ILE 30 2.053 8.676 5.923 182 HA ILE 30 HA ILE 30 -0.364 10.247 5.969 183 HB ILE 30 HB ILE 30 1.235 9.295 3.591 184 1HG1 ILE 30 2HG1 ILE 30 2.581 10.720 5.059 185 2HG1 ILE 30 1HG1 ILE 30 2.180 11.569 3.567 186 1HG2 ILE 30 1HG2 ILE 30 -1.130 9.916 3.142 187 2HG2 ILE 30 2HG2 ILE 30 0.044 10.945 2.322 188 3HG2 ILE 30 3HG2 ILE 30 -0.783 11.527 3.768 189 1HD1 ILE 30 1HD1 ILE 30 1.980 13.037 5.498 190 2HD1 ILE 30 2HD1 ILE 30 0.812 11.934 6.231 191 3HD1 ILE 30 3HD1 ILE 30 0.408 12.783 4.738 192 H SER 31 H SER 31 -2.333 9.389 5.845 193 HA SER 31 HA SER 31 -2.631 6.600 5.036 194 1HB SER 31 2HB SER 31 -4.646 8.521 6.234 195 2HB SER 31 1HB SER 31 -4.913 6.803 5.944 196 HG SER 31 HG SER 31 -4.201 7.541 8.140 197 H GLY 32 H GLY 32 -4.406 5.993 3.549 198 1HA GLY 32 2HA GLY 32 -5.639 7.965 1.910 199 2HA GLY 32 1HA GLY 32 -4.229 7.292 1.109 200 H ARG 33 H ARG 33 -5.947 6.702 -0.444 201 HA ARG 33 HA ARG 33 -7.324 4.247 0.347 202 1HB ARG 33 2HB ARG 33 -8.007 6.280 -1.735 203 2HB ARG 33 1HB ARG 33 -8.682 4.665 -1.766 204 1HG ARG 33 2HG ARG 33 -10.098 6.421 -0.663 205 2HG ARG 33 1HG ARG 33 -9.798 4.955 0.267 206 1HD ARG 33 2HD ARG 33 -8.177 6.060 1.621 207 2HD ARG 33 1HD ARG 33 -8.195 7.488 0.589 208 HE ARG 33 HE ARG 33 -10.781 7.057 1.573 209 1HH1 ARG 33 1HH1 ARG 33 -7.620 7.973 2.730 210 2HH1 ARG 33 2HH1 ARG 33 -8.235 8.919 4.042 211 1HH2 ARG 33 1HH2 ARG 33 -11.594 8.303 3.300 212 2HH2 ARG 33 2HH2 ARG 33 -10.491 9.107 4.365 213 H VAL 34 H VAL 34 -7.703 2.752 -1.626 214 HA VAL 34 HA VAL 34 -5.000 2.154 -2.617 215 HB VAL 34 HB VAL 34 -7.356 0.287 -2.391 216 1HG1 VAL 34 1HG1 VAL 34 -4.441 -0.249 -2.958 217 2HG1 VAL 34 2HG1 VAL 34 -5.776 -0.412 -4.101 218 3HG1 VAL 34 3HG1 VAL 34 -5.679 -1.480 -2.701 219 1HG2 VAL 34 1HG2 VAL 34 -6.776 0.857 -0.186 220 2HG2 VAL 34 2HG2 VAL 34 -5.051 0.860 -0.551 221 3HG2 VAL 34 3HG2 VAL 34 -5.939 -0.662 -0.498 222 H VAL 35 H VAL 35 -4.544 1.527 -4.736 223 HA VAL 35 HA VAL 35 -6.740 1.577 -6.647 224 HB VAL 35 HB VAL 35 -5.717 3.864 -6.712 225 1HG1 VAL 35 1HG1 VAL 35 -3.616 4.309 -7.387 226 2HG1 VAL 35 2HG1 VAL 35 -3.437 2.760 -8.213 227 3HG1 VAL 35 3HG1 VAL 35 -3.369 2.840 -6.459 228 1HG2 VAL 35 1HG2 VAL 35 -6.008 4.066 -9.001 229 2HG2 VAL 35 2HG2 VAL 35 -6.899 2.594 -8.618 230 3HG2 VAL 35 3HG2 VAL 35 -5.287 2.490 -9.326 231 H ASP 36 H ASP 36 -3.237 1.038 -6.220 232 HA ASP 36 HA ASP 36 -3.453 -1.562 -7.394 233 1HB ASP 36 2HB ASP 36 -1.859 0.578 -8.818 234 2HB ASP 36 1HB ASP 36 -1.768 -1.143 -9.177 235 H GLU 37 H GLU 37 -1.259 -2.646 -7.467 236 HA GLU 37 HA GLU 37 0.551 -1.549 -5.421 237 1HB GLU 37 2HB GLU 37 -0.329 -4.433 -5.675 238 2HB GLU 37 1HB GLU 37 0.888 -3.837 -4.554 239 1HG GLU 37 2HG GLU 37 -0.803 -2.465 -3.447 240 2HG GLU 37 1HG GLU 37 -2.022 -3.066 -4.570 241 H THR 38 H THR 38 2.698 -1.633 -5.937 242 HA THR 38 HA THR 38 3.423 -3.194 -8.329 243 HB THR 38 HB THR 38 4.467 -0.484 -7.507 244 HG1 THR 38 1HG THR 38 2.876 -1.247 -9.723 245 1HG2 THR 38 1HG2 THR 38 5.349 -2.395 -9.583 246 2HG2 THR 38 2HG2 THR 38 6.276 -1.220 -8.651 247 3HG2 THR 38 3HG2 THR 38 5.290 -0.685 -10.012 248 H ARG 39 H ARG 39 5.558 -4.005 -8.422 249 HA ARG 39 HA ARG 39 6.501 -5.303 -6.218 250 1HB ARG 39 2HB ARG 39 8.621 -5.584 -7.422 251 2HB ARG 39 1HB ARG 39 7.238 -5.826 -8.480 252 1HG ARG 39 2HG ARG 39 7.523 -3.592 -9.394 253 2HG ARG 39 1HG ARG 39 8.883 -3.310 -8.307 254 1HD ARG 39 2HD ARG 39 10.121 -5.120 -9.359 255 2HD ARG 39 1HD ARG 39 8.755 -5.458 -10.422 256 HE ARG 39 HE ARG 39 10.747 -3.489 -10.810 257 1HH1 ARG 39 1HH1 ARG 39 7.329 -4.057 -11.242 258 2HH1 ARG 39 2HH1 ARG 39 7.169 -2.891 -12.511 259 1HH2 ARG 39 1HH2 ARG 39 10.536 -1.959 -12.484 260 2HH2 ARG 39 2HH2 ARG 39 8.989 -1.701 -13.217 261 H ASN 40 H ASN 40 7.481 -2.086 -7.343 262 HA ASN 40 HA ASN 40 8.772 -1.700 -4.730 263 1HB ASN 40 2HB ASN 40 10.494 -0.314 -5.794 264 2HB ASN 40 1HB ASN 40 10.517 -1.964 -6.391 265 1HD2 ASN 40 1HD2 ASN 40 7.884 -0.433 -7.776 266 2HD2 ASN 40 2HD2 ASN 40 8.623 0.060 -9.248 267 H THR 41 H THR 41 6.061 -0.911 -5.869 268 HA THR 41 HA THR 41 6.113 1.732 -4.742 269 HB THR 41 HB THR 41 4.893 2.707 -6.778 270 HG1 THR 41 1HG THR 41 6.329 0.705 -8.156 271 1HG2 THR 41 1HG2 THR 41 7.203 3.318 -6.081 272 2HG2 THR 41 2HG2 THR 41 6.876 3.480 -7.808 273 3HG2 THR 41 3HG2 THR 41 7.799 2.101 -7.209 274 H LEU 42 H LEU 42 4.012 2.619 -4.381 275 HA LEU 42 HA LEU 42 1.879 0.586 -4.456 276 1HB LEU 42 2HB LEU 42 2.854 0.905 -2.211 277 2HB LEU 42 1HB LEU 42 2.430 2.598 -2.271 278 HG LEU 42 HG LEU 42 0.899 1.270 -0.873 279 1HD1 LEU 42 1HD1 LEU 42 -0.649 2.166 -3.279 280 2HD1 LEU 42 2HD1 LEU 42 0.217 3.328 -2.275 281 3HD1 LEU 42 3HD1 LEU 42 -1.052 2.329 -1.571 282 1HD2 LEU 42 1HD2 LEU 42 0.862 -0.853 -1.891 283 2HD2 LEU 42 2HD2 LEU 42 0.422 -0.188 -3.463 284 3HD2 LEU 42 3HD2 LEU 42 -0.754 -0.195 -2.150 285 H ARG 43 H ARG 43 0.126 1.215 -5.531 286 HA ARG 43 HA ARG 43 -0.150 4.056 -6.154 287 1HB ARG 43 2HB ARG 43 -0.194 1.927 -7.792 288 2HB ARG 43 1HB ARG 43 -1.904 2.024 -7.423 289 1HG ARG 43 2HG ARG 43 -1.922 4.360 -8.200 290 2HG ARG 43 1HG ARG 43 -0.207 4.229 -8.574 291 1HD ARG 43 2HD ARG 43 -0.695 2.438 -10.177 292 2HD ARG 43 1HD ARG 43 -2.413 2.582 -9.813 293 HE ARG 43 HE ARG 43 -2.494 4.324 -11.269 294 1HH1 ARG 43 1HH1 ARG 43 0.805 3.989 -10.177 295 2HH1 ARG 43 2HH1 ARG 43 1.394 5.282 -11.167 296 1HH2 ARG 43 1HH2 ARG 43 -1.719 6.020 -12.574 297 2HH2 ARG 43 2HH2 ARG 43 -0.038 6.434 -12.530 298 H ILE 44 H ILE 44 -1.915 5.234 -5.544 299 HA ILE 44 HA ILE 44 -3.825 3.921 -3.716 300 HB ILE 44 HB ILE 44 -2.576 6.661 -3.625 301 1HG1 ILE 44 2HG1 ILE 44 -2.603 4.366 -1.658 302 2HG1 ILE 44 1HG1 ILE 44 -1.250 4.837 -2.681 303 1HG2 ILE 44 1HG2 ILE 44 -4.194 6.244 -1.332 304 2HG2 ILE 44 2HG2 ILE 44 -5.196 6.021 -2.764 305 3HG2 ILE 44 3HG2 ILE 44 -4.300 7.518 -2.543 306 1HD1 ILE 44 1HD1 ILE 44 -1.760 7.161 -1.383 307 2HD1 ILE 44 2HD1 ILE 44 -0.576 5.958 -0.869 308 3HD1 ILE 44 3HD1 ILE 44 -2.187 5.972 -0.153 309 H GLU 45 H GLU 45 -5.962 4.074 -4.138 310 HA GLU 45 HA GLU 45 -6.891 6.350 -5.719 311 1HB GLU 45 2HB GLU 45 -7.049 4.708 -7.381 312 2HB GLU 45 1HB GLU 45 -7.571 3.463 -6.256 313 1HG GLU 45 2HG GLU 45 -9.724 4.602 -6.026 314 2HG GLU 45 1HG GLU 45 -9.182 5.844 -7.152 315 H MET 46 H MET 46 -8.580 7.305 -4.986 316 HA MET 46 HA MET 46 -9.852 6.335 -2.533 317 1HB MET 46 2HB MET 46 -9.564 9.085 -3.744 318 2HB MET 46 1HB MET 46 -10.601 8.758 -2.366 319 1HG MET 46 2HG MET 46 -8.504 9.685 -1.639 320 2HG MET 46 1HG MET 46 -8.654 8.025 -1.085 321 1HE MET 46 1HE MET 46 -6.629 9.441 -4.734 322 2HE MET 46 2HE MET 46 -5.708 10.180 -3.430 323 3HE MET 46 3HE MET 46 -7.450 10.432 -3.533 324 H ASP 47 H ASP 47 -11.914 5.721 -2.550 325 HA ASP 47 HA ASP 47 -13.418 5.184 -4.736 326 1HB ASP 47 2HB ASP 47 -15.394 5.156 -3.263 327 2HB ASP 47 1HB ASP 47 -14.002 4.383 -2.512 328 H ASP 48 H ASP 48 -13.068 8.282 -3.225 329 HA ASP 48 HA ASP 48 -15.306 9.578 -4.327 330 1HB ASP 48 2HB ASP 48 -12.615 10.731 -3.560 331 2HB ASP 48 1HB ASP 48 -14.071 11.671 -3.870 332 H GLY 49 H GLY 49 -12.530 8.360 -5.835 333 1HA GLY 49 2HA GLY 49 -12.380 8.261 -8.209 334 2HA GLY 49 1HA GLY 49 -13.218 9.803 -8.296 335 H ARG 50 H ARG 50 -10.714 9.412 -5.961 336 HA ARG 50 HA ARG 50 -9.013 11.219 -7.548 337 1HB ARG 50 2HB ARG 50 -9.025 10.700 -4.571 338 2HB ARG 50 1HB ARG 50 -7.959 11.826 -5.400 339 1HG ARG 50 2HG ARG 50 -10.961 12.007 -5.239 340 2HG ARG 50 1HG ARG 50 -9.803 12.994 -4.346 341 1HD ARG 50 2HD ARG 50 -8.952 13.902 -6.449 342 2HD ARG 50 1HD ARG 50 -10.094 12.905 -7.348 343 HE ARG 50 HE ARG 50 -11.525 14.462 -5.515 344 1HH1 ARG 50 1HH1 ARG 50 -9.629 14.854 -8.418 345 2HH1 ARG 50 2HH1 ARG 50 -10.474 16.274 -8.929 346 1HH2 ARG 50 1HH2 ARG 50 -12.639 16.331 -6.186 347 2HH2 ARG 50 2HH2 ARG 50 -12.185 17.113 -7.661 348 H GLU 51 H GLU 51 -6.836 10.765 -7.894 349 HA GLU 51 HA GLU 51 -5.941 8.096 -7.047 350 1HB GLU 51 2HB GLU 51 -4.945 7.749 -9.211 351 2HB GLU 51 1HB GLU 51 -6.635 8.184 -9.425 352 1HG GLU 51 2HG GLU 51 -5.994 10.464 -9.981 353 2HG GLU 51 1HG GLU 51 -4.295 10.044 -9.760 354 H ILE 52 H ILE 52 -3.866 7.887 -6.373 355 HA ILE 52 HA ILE 52 -1.869 9.913 -6.841 356 HB ILE 52 HB ILE 52 -3.079 10.910 -4.957 357 1HG1 ILE 52 2HG1 ILE 52 -0.380 9.786 -4.170 358 2HG1 ILE 52 1HG1 ILE 52 -0.648 11.238 -5.136 359 1HG2 ILE 52 1HG2 ILE 52 -3.533 9.861 -2.966 360 2HG2 ILE 52 2HG2 ILE 52 -2.239 8.679 -3.170 361 3HG2 ILE 52 3HG2 ILE 52 -3.726 8.531 -4.108 362 1HD1 ILE 52 1HD1 ILE 52 -1.757 12.301 -3.224 363 2HD1 ILE 52 2HD1 ILE 52 -0.110 11.806 -2.824 364 3HD1 ILE 52 3HD1 ILE 52 -1.481 10.851 -2.260 365 H THR 53 H THR 53 0.271 9.220 -6.147 366 HA THR 53 HA THR 53 0.387 6.315 -5.645 367 HB THR 53 HB THR 53 2.330 8.044 -7.181 368 HG1 THR 53 1HG THR 53 0.484 6.066 -8.025 369 1HG2 THR 53 1HG2 THR 53 3.479 6.186 -6.085 370 2HG2 THR 53 2HG2 THR 53 3.433 5.997 -7.837 371 3HG2 THR 53 3HG2 THR 53 2.339 5.058 -6.820 372 H VAL 54 H VAL 54 2.142 5.477 -4.402 373 HA VAL 54 HA VAL 54 3.782 7.317 -2.879 374 HB VAL 54 HB VAL 54 1.869 5.466 -1.449 375 1HG1 VAL 54 1HG1 VAL 54 3.990 5.670 -0.281 376 2HG1 VAL 54 2HG1 VAL 54 2.732 6.545 0.594 377 3HG1 VAL 54 3HG1 VAL 54 3.903 7.428 -0.385 378 1HG2 VAL 54 1HG2 VAL 54 0.864 7.562 -0.582 379 2HG2 VAL 54 2HG2 VAL 54 0.669 7.370 -2.324 380 3HG2 VAL 54 3HG2 VAL 54 1.888 8.474 -1.689 381 HA PRO 55 HA PRO 55 6.481 3.793 -3.281 382 1HB PRO 55 2HB PRO 55 8.249 4.943 -1.285 383 2HB PRO 55 1HB PRO 55 8.475 4.830 -3.031 384 1HG PRO 55 2HG PRO 55 8.073 7.184 -1.725 385 2HG PRO 55 1HG PRO 55 7.593 6.907 -3.410 386 1HD PRO 55 2HD PRO 55 5.917 6.855 -0.925 387 2HD PRO 55 1HD PRO 55 5.547 7.538 -2.524 388 H LYS 56 H LYS 56 6.007 1.872 -2.398 389 HA LYS 56 HA LYS 56 5.683 1.669 0.511 390 1HB LYS 56 2HB LYS 56 4.677 -0.541 0.058 391 2HB LYS 56 1HB LYS 56 3.819 0.780 -0.712 392 1HG LYS 56 2HG LYS 56 4.799 0.234 -2.845 393 2HG LYS 56 1HG LYS 56 5.812 -1.001 -2.098 394 1HD LYS 56 2HD LYS 56 2.796 -1.032 -2.178 395 2HD LYS 56 1HD LYS 56 3.853 -1.962 -3.238 396 1HE LYS 56 2HE LYS 56 4.783 -3.116 -1.283 397 2HE LYS 56 1HE LYS 56 3.709 -2.194 -0.233 398 1HZ LYS 56 1HZ LYS 56 1.850 -3.303 -1.028 399 2HZ LYS 56 2HZ LYS 56 3.005 -4.532 -0.926 400 3HZ LYS 56 3HZ LYS 56 2.632 -3.848 -2.427 401 H GLY 57 H GLY 57 8.127 1.258 -1.684 402 1HA GLY 57 2HA GLY 57 9.254 -1.209 -1.244 403 2HA GLY 57 1HA GLY 57 10.197 0.259 -1.464 404 H ILE 58 H ILE 58 8.971 1.407 1.009 405 HA ILE 58 HA ILE 58 9.940 -0.284 3.123 406 HB ILE 58 HB ILE 58 11.119 2.476 2.792 407 1HG1 ILE 58 2HG1 ILE 58 13.300 1.116 2.522 408 2HG1 ILE 58 1HG1 ILE 58 12.247 -0.240 2.130 409 1HG2 ILE 58 1HG2 ILE 58 12.329 2.095 4.740 410 2HG2 ILE 58 2HG2 ILE 58 12.068 0.351 4.681 411 3HG2 ILE 58 3HG2 ILE 58 10.740 1.429 5.107 412 1HD1 ILE 58 1HD1 ILE 58 11.381 1.911 0.552 413 2HD1 ILE 58 2HD1 ILE 58 12.225 0.452 0.036 414 3HD1 ILE 58 3HD1 ILE 58 13.142 1.896 0.465 415 H ALA 59 H ALA 59 7.424 0.114 2.978 416 HA ALA 59 HA ALA 59 6.865 2.168 4.971 417 1HB ALA 59 1HB ALA 59 5.271 3.311 3.780 418 2HB ALA 59 2HB ALA 59 4.962 1.959 2.690 419 3HB ALA 59 3HB ALA 59 6.434 2.917 2.516 420 H VAL 60 H VAL 60 6.013 1.104 6.638 421 HA VAL 60 HA VAL 60 4.473 -1.305 6.320 422 HB VAL 60 HB VAL 60 5.892 -0.976 8.304 423 1HG1 VAL 60 1HG1 VAL 60 4.877 1.574 8.340 424 2HG1 VAL 60 2HG1 VAL 60 5.822 0.824 9.626 425 3HG1 VAL 60 3HG1 VAL 60 4.060 0.808 9.702 426 1HG2 VAL 60 1HG2 VAL 60 2.936 -1.325 8.706 427 2HG2 VAL 60 2HG2 VAL 60 4.081 -1.497 10.035 428 3HG2 VAL 60 3HG2 VAL 60 4.194 -2.559 8.631 429 H PHE 61 H PHE 61 2.305 -1.461 6.067 430 HA PHE 61 HA PHE 61 0.575 0.626 7.074 431 1HB PHE 61 2HB PHE 61 -0.506 0.997 4.850 432 2HB PHE 61 1HB PHE 61 1.137 1.614 4.968 433 HD1 PHE 61 1HD PHE 61 -0.567 -1.567 3.978 434 HD2 PHE 61 2HD PHE 61 2.480 1.289 3.161 435 HE1 PHE 61 1HE PHE 61 0.066 -2.824 1.962 436 HE2 PHE 61 2HE PHE 61 3.114 0.039 1.141 437 HZ PHE 61 HZ PHE 61 1.907 -2.020 0.539 438 H HIS 62 H HIS 62 -1.613 0.073 7.151 439 HA HIS 62 HA HIS 62 -2.173 -2.782 6.687 440 1HB HIS 62 2HB HIS 62 -3.175 -0.963 8.886 441 2HB HIS 62 1HB HIS 62 -3.784 -2.587 8.598 442 HD1 HIS 62 1HD HIS 62 -2.778 -2.454 11.265 443 HD2 HIS 62 2HD HIS 62 -0.135 -2.940 8.098 444 HE1 HIS 62 1HE HIS 62 -0.690 -3.422 12.276 445 HE2 HIS 62 2HE HIS 62 0.934 -3.600 10.357 446 H PHE 63 H PHE 63 -4.045 -3.324 5.657 447 HA PHE 63 HA PHE 63 -5.506 -1.134 4.399 448 1HB PHE 63 2HB PHE 63 -5.308 -4.088 3.860 449 2HB PHE 63 1HB PHE 63 -6.570 -3.113 3.119 450 HD1 PHE 63 1HD PHE 63 -3.259 -1.675 3.719 451 HD2 PHE 63 2HD PHE 63 -5.766 -3.650 0.902 452 HE1 PHE 63 1HE PHE 63 -1.715 -1.051 1.909 453 HE2 PHE 63 2HE PHE 63 -4.225 -3.029 -0.910 454 HZ PHE 63 HZ PHE 63 -2.195 -1.729 -0.407 455 H ARG 64 H ARG 64 -7.397 -0.460 5.127 456 HA ARG 64 HA ARG 64 -8.907 -2.191 6.964 457 1HB ARG 64 2HB ARG 64 -8.218 -0.058 7.928 458 2HB ARG 64 1HB ARG 64 -8.968 0.812 6.598 459 1HG ARG 64 2HG ARG 64 -10.355 0.921 8.573 460 2HG ARG 64 1HG ARG 64 -11.164 -0.006 7.308 461 1HD ARG 64 2HD ARG 64 -10.464 -2.085 8.388 462 2HD ARG 64 1HD ARG 64 -9.650 -1.160 9.648 463 HE ARG 64 HE ARG 64 -12.324 -0.348 9.546 464 1HH1 ARG 64 1HH1 ARG 64 -10.444 -3.163 10.394 465 2HH1 ARG 64 2HH1 ARG 64 -11.592 -3.736 11.556 466 1HH2 ARG 64 1HH2 ARG 64 -13.834 -1.098 11.077 467 2HH2 ARG 64 2HH2 ARG 64 -13.518 -2.562 11.943 468 H THR 65 H THR 65 -10.536 -3.234 6.021 469 HA THR 65 HA THR 65 -11.786 -2.154 3.631 470 HB THR 65 HB THR 65 -12.284 -4.762 5.069 471 HG1 THR 65 1HG THR 65 -10.179 -4.632 4.225 472 1HG2 THR 65 1HG2 THR 65 -13.796 -5.315 3.549 473 2HG2 THR 65 2HG2 THR 65 -12.809 -4.694 2.225 474 3HG2 THR 65 3HG2 THR 65 -13.852 -3.603 3.135 475 HA PRO 66 HA PRO 66 -15.134 -0.117 5.742 476 1HB PRO 66 2HB PRO 66 -16.626 -1.011 3.317 477 2HB PRO 66 1HB PRO 66 -16.545 0.591 4.060 478 1HG PRO 66 2HG PRO 66 -15.174 0.063 1.846 479 2HG PRO 66 1HG PRO 66 -14.469 1.061 3.132 480 1HD PRO 66 2HD PRO 66 -13.894 -1.771 2.398 481 2HD PRO 66 1HD PRO 66 -12.800 -0.520 3.023 482 H GLN 67 H GLN 67 -15.488 -3.326 4.322 483 HA GLN 67 HA GLN 67 -17.940 -4.000 5.532 484 1HB GLN 67 2HB GLN 67 -15.664 -5.681 4.503 485 2HB GLN 67 1HB GLN 67 -17.121 -6.391 5.180 486 1HG GLN 67 2HG GLN 67 -17.226 -6.314 2.758 487 2HG GLN 67 1HG GLN 67 -18.467 -5.293 3.479 488 1HE2 GLN 67 1HE2 GLN 67 -18.720 -3.417 2.527 489 2HE2 GLN 67 2HE2 GLN 67 -17.506 -2.522 1.685 490 H GLY 68 H GLY 68 -14.880 -3.522 6.913 491 1HA GLY 68 2HA GLY 68 -14.674 -3.434 9.296 492 2HA GLY 68 1HA GLY 68 -15.838 -4.742 9.408 493 H GLU 69 H GLU 69 -12.901 -4.454 7.425 494 HA GLU 69 HA GLU 69 -11.828 -6.790 8.877 495 1HB GLU 69 2HB GLU 69 -11.500 -6.206 5.930 496 2HB GLU 69 1HB GLU 69 -10.827 -7.578 6.794 497 1HG GLU 69 2HG GLU 69 -13.075 -8.392 7.268 498 2HG GLU 69 1HG GLU 69 -13.757 -7.011 6.411 499 H LEU 70 H LEU 70 -9.636 -6.819 9.309 500 HA LEU 70 HA LEU 70 -8.188 -4.325 8.702 501 1HB LEU 70 2HB LEU 70 -8.823 -4.414 11.054 502 2HB LEU 70 1HB LEU 70 -8.069 -5.989 11.216 503 HG LEU 70 HG LEU 70 -5.868 -4.977 10.764 504 1HD1 LEU 70 1HD1 LEU 70 -7.395 -2.373 10.777 505 2HD1 LEU 70 2HD1 LEU 70 -6.602 -3.104 9.383 506 3HD1 LEU 70 3HD1 LEU 70 -5.638 -2.540 10.748 507 1HD2 LEU 70 1HD2 LEU 70 -7.389 -3.613 12.988 508 2HD2 LEU 70 2HD2 LEU 70 -5.640 -3.818 12.891 509 3HD2 LEU 70 3HD2 LEU 70 -6.685 -5.228 13.070 510 H VAL 71 H VAL 71 -6.690 -4.779 7.232 511 HA VAL 71 HA VAL 71 -5.172 -7.293 7.502 512 HB VAL 71 HB VAL 71 -5.543 -5.612 5.019 513 1HG1 VAL 71 1HG1 VAL 71 -4.313 -8.347 5.318 514 2HG1 VAL 71 2HG1 VAL 71 -3.402 -6.848 5.141 515 3HG1 VAL 71 3HG1 VAL 71 -4.449 -7.401 3.835 516 1HG2 VAL 71 1HG2 VAL 71 -7.065 -7.871 6.152 517 2HG2 VAL 71 2HG2 VAL 71 -6.705 -7.964 4.428 518 3HG2 VAL 71 3HG2 VAL 71 -7.585 -6.578 5.073 519 H GLU 72 H GLU 72 -2.907 -7.229 7.313 520 HA GLU 72 HA GLU 72 -1.729 -4.536 7.513 521 1HB GLU 72 2HB GLU 72 -0.063 -5.467 9.064 522 2HB GLU 72 1HB GLU 72 -1.698 -5.620 9.688 523 1HG GLU 72 2HG GLU 72 -1.745 -7.962 9.006 524 2HG GLU 72 1HG GLU 72 -0.106 -7.810 8.375 525 H ILE 73 H ILE 73 0.270 -4.177 6.573 526 HA ILE 73 HA ILE 73 1.580 -6.331 5.120 527 HB ILE 73 HB ILE 73 0.584 -3.852 3.703 528 1HG1 ILE 73 2HG1 ILE 73 -0.221 -6.755 3.407 529 2HG1 ILE 73 1HG1 ILE 73 -1.208 -5.476 4.109 530 1HG2 ILE 73 1HG2 ILE 73 2.072 -6.217 2.575 531 2HG2 ILE 73 2HG2 ILE 73 2.809 -4.662 2.959 532 3HG2 ILE 73 3HG2 ILE 73 1.571 -4.766 1.708 533 1HD1 ILE 73 1HD1 ILE 73 -1.261 -4.336 1.946 534 2HD1 ILE 73 2HD1 ILE 73 -1.905 -5.974 1.838 535 3HD1 ILE 73 3HD1 ILE 73 -0.281 -5.624 1.247 536 H ASP 74 H ASP 74 3.719 -6.107 5.376 537 HA ASP 74 HA ASP 74 4.724 -3.592 6.440 538 1HB ASP 74 2HB ASP 74 5.321 -5.714 7.547 539 2HB ASP 74 1HB ASP 74 6.134 -6.241 6.077 540 H GLY 75 H GLY 75 4.998 -2.152 4.830 541 1HA GLY 75 2HA GLY 75 5.942 -2.711 2.238 542 2HA GLY 75 1HA GLY 75 5.910 -1.130 2.994 543 H ARG 76 H ARG 76 7.626 -2.635 5.184 544 HA ARG 76 HA ARG 76 10.120 -1.789 4.032 545 1HB ARG 76 2HB ARG 76 9.558 -1.079 6.294 546 2HB ARG 76 1HB ARG 76 9.465 -2.758 6.802 547 1HG ARG 76 2HG ARG 76 11.845 -3.037 6.337 548 2HG ARG 76 1HG ARG 76 11.939 -1.352 5.820 549 1HD ARG 76 2HD ARG 76 11.251 -0.632 8.058 550 2HD ARG 76 1HD ARG 76 11.164 -2.316 8.571 551 HE ARG 76 HE ARG 76 13.727 -1.836 7.562 552 1HH1 ARG 76 1HH1 ARG 76 11.727 -0.896 10.263 553 2HH1 ARG 76 2HH1 ARG 76 13.068 -0.636 11.327 554 1HH2 ARG 76 1HH2 ARG 76 15.493 -1.496 8.961 555 2HH2 ARG 76 2HH2 ARG 76 15.208 -0.977 10.588 556 H ALA 77 H ALA 77 9.272 -4.612 5.955 557 HA ALA 77 HA ALA 77 11.426 -6.112 4.786 558 1HB ALA 77 1HB ALA 77 9.578 -7.481 6.616 559 2HB ALA 77 2HB ALA 77 10.422 -6.076 7.270 560 3HB ALA 77 3HB ALA 77 11.341 -7.427 6.605 561 H LEU 78 H LEU 78 8.127 -5.725 4.038 562 HA LEU 78 HA LEU 78 8.063 -8.364 2.735 563 1HB LEU 78 2HB LEU 78 6.224 -7.752 4.352 564 2HB LEU 78 1HB LEU 78 5.719 -6.530 3.202 565 HG LEU 78 HG LEU 78 5.263 -8.260 1.530 566 1HD1 LEU 78 1HD1 LEU 78 5.322 -10.625 2.166 567 2HD1 LEU 78 2HD1 LEU 78 6.062 -10.188 3.705 568 3HD1 LEU 78 3HD1 LEU 78 6.927 -9.897 2.196 569 1HD2 LEU 78 1HD2 LEU 78 3.331 -9.288 2.633 570 2HD2 LEU 78 2HD2 LEU 78 3.463 -7.570 3.011 571 3HD2 LEU 78 3HD2 LEU 78 3.958 -8.775 4.199 572 H VAL 79 H VAL 79 9.537 -6.153 1.648 573 HA VAL 79 HA VAL 79 8.148 -4.801 -0.386 574 HB VAL 79 HB VAL 79 10.390 -4.126 0.343 575 1HG1 VAL 79 1HG1 VAL 79 12.364 -5.383 -0.473 576 2HG1 VAL 79 2HG1 VAL 79 11.283 -6.671 -1.004 577 3HG1 VAL 79 3HG1 VAL 79 11.408 -6.276 0.711 578 1HG2 VAL 79 1HG2 VAL 79 9.512 -3.517 -1.914 579 2HG2 VAL 79 2HG2 VAL 79 10.423 -4.873 -2.577 580 3HG2 VAL 79 3HG2 VAL 79 11.272 -3.535 -1.803 581 H ALA 80 H ALA 80 7.656 -5.308 -2.474 582 HA ALA 80 HA ALA 80 7.734 -8.120 -3.179 583 1HB ALA 80 1HB ALA 80 5.667 -7.279 -3.708 584 2HB ALA 80 2HB ALA 80 6.486 -7.127 -5.263 585 3HB ALA 80 3HB ALA 80 6.309 -5.718 -4.216 586 H ARG 81 H ARG 81 8.893 -9.036 -4.801 587 HA ARG 81 HA ARG 81 10.788 -7.293 -6.233 588 1HB ARG 81 2HB ARG 81 11.137 -10.144 -5.294 589 2HB ARG 81 1HB ARG 81 12.291 -9.279 -6.299 590 1HG ARG 81 2HG ARG 81 12.805 -7.755 -4.566 591 2HG ARG 81 1HG ARG 81 11.433 -8.298 -3.594 592 1HD ARG 81 2HD ARG 81 13.798 -10.020 -4.340 593 2HD ARG 81 1HD ARG 81 13.622 -9.175 -2.802 594 HE ARG 81 HE ARG 81 12.436 -11.640 -3.512 595 1HH1 ARG 81 1HH1 ARG 81 11.796 -8.692 -1.753 596 2HH1 ARG 81 2HH1 ARG 81 10.594 -9.411 -0.737 597 1HH2 ARG 81 1HH2 ARG 81 10.847 -12.585 -2.176 598 2HH2 ARG 81 2HH2 ARG 81 10.059 -11.620 -0.973 599 HA PRO 82 HA PRO 82 9.222 -8.553 -10.150 600 1HB PRO 82 2HB PRO 82 12.014 -9.191 -10.939 601 2HB PRO 82 1HB PRO 82 10.849 -8.105 -11.703 602 1HG PRO 82 2HG PRO 82 12.900 -7.143 -10.296 603 2HG PRO 82 1HG PRO 82 11.305 -6.369 -10.244 604 1HD PRO 82 2HD PRO 82 12.629 -8.129 -8.226 605 2HD PRO 82 1HD PRO 82 11.582 -6.716 -7.978 606 H GLU 83 H GLU 83 9.227 -10.384 -11.719 607 HA GLU 83 HA GLU 83 9.116 -12.870 -10.312 608 1HB GLU 83 2HB GLU 83 8.788 -12.278 -13.258 609 2HB GLU 83 1HB GLU 83 8.407 -13.809 -12.484 610 1HG GLU 83 2HG GLU 83 6.703 -12.703 -11.131 611 2HG GLU 83 1HG GLU 83 7.084 -11.168 -11.910 612 H GLU 84 H GLU 84 11.510 -11.249 -12.145 613 HA GLU 84 HA GLU 84 12.966 -13.442 -13.143 614 1HB GLU 84 2HB GLU 84 13.979 -10.715 -12.320 615 2HB GLU 84 1HB GLU 84 14.841 -11.865 -13.332 616 1HG GLU 84 2HG GLU 84 12.227 -10.540 -14.013 617 2HG GLU 84 1HG GLU 84 13.809 -10.091 -14.644 618 H ARG 85 H ARG 85 13.275 -11.600 -10.119 619 HA ARG 85 HA ARG 85 14.762 -13.876 -8.997 620 1HB ARG 85 2HB ARG 85 15.377 -10.950 -8.545 621 2HB ARG 85 1HB ARG 85 16.161 -12.292 -7.722 622 1HG ARG 85 2HG ARG 85 16.255 -11.740 -10.680 623 2HG ARG 85 1HG ARG 85 17.545 -11.418 -9.522 624 1HD ARG 85 2HD ARG 85 17.671 -13.813 -9.012 625 2HD ARG 85 1HD ARG 85 16.390 -14.127 -10.181 626 HE ARG 85 HE ARG 85 17.976 -14.086 -11.808 627 1HH1 ARG 85 1HH1 ARG 85 19.191 -12.272 -9.083 628 2HH1 ARG 85 2HH1 ARG 85 20.713 -11.925 -9.834 629 1HH2 ARG 85 1HH2 ARG 85 19.979 -13.636 -12.791 630 2HH2 ARG 85 2HH2 ARG 85 21.160 -12.701 -11.937 631 H ILE 86 H ILE 86 13.235 -14.735 -7.708 632 HA ILE 86 HA ILE 86 11.875 -12.943 -5.798 633 HB ILE 86 HB ILE 86 10.970 -15.666 -6.759 634 1HG1 ILE 86 2HG1 ILE 86 9.879 -12.913 -7.390 635 2HG1 ILE 86 1HG1 ILE 86 10.806 -13.919 -8.500 636 1HG2 ILE 86 1HG2 ILE 86 10.244 -15.252 -4.496 637 2HG2 ILE 86 2HG2 ILE 86 8.867 -15.089 -5.585 638 3HG2 ILE 86 3HG2 ILE 86 9.655 -13.650 -4.941 639 1HD1 ILE 86 1HD1 ILE 86 8.758 -14.492 -9.220 640 2HD1 ILE 86 2HD1 ILE 86 7.984 -14.089 -7.688 641 3HD1 ILE 86 3HD1 ILE 86 8.833 -15.624 -7.872 Start of MODEL 4 1 H ARG 9 H ARG 9 -13.634 0.987 -9.888 2 HA ARG 9 HA ARG 9 -13.614 0.208 -7.048 3 1HB ARG 9 2HB ARG 9 -11.595 -1.129 -7.511 4 2HB ARG 9 1HB ARG 9 -12.990 -1.704 -8.412 5 1HG ARG 9 2HG ARG 9 -12.169 -0.548 -10.410 6 2HG ARG 9 1HG ARG 9 -10.756 -0.004 -9.502 7 1HD ARG 9 2HD ARG 9 -10.103 -2.329 -9.124 8 2HD ARG 9 1HD ARG 9 -11.518 -2.877 -10.021 9 HE ARG 9 HE ARG 9 -10.044 -1.155 -11.662 10 1HH1 ARG 9 1HH1 ARG 9 -9.757 -4.310 -10.199 11 2HH1 ARG 9 2HH1 ARG 9 -8.729 -4.932 -11.445 12 1HH2 ARG 9 1HH2 ARG 9 -8.691 -1.972 -13.303 13 2HH2 ARG 9 2HH2 ARG 9 -8.123 -3.606 -13.206 14 H HIS 10 H HIS 10 -12.674 1.660 -5.793 15 HA HIS 10 HA HIS 10 -10.481 3.281 -6.901 16 1HB HIS 10 2HB HIS 10 -12.693 4.239 -5.073 17 2HB HIS 10 1HB HIS 10 -11.299 5.195 -5.568 18 HD1 HIS 10 1HD HIS 10 -13.968 3.204 -7.433 19 HD2 HIS 10 2HD HIS 10 -11.994 6.858 -7.565 20 HE1 HIS 10 1HE HIS 10 -14.930 4.415 -9.415 21 HE2 HIS 10 2HE HIS 10 -13.671 6.597 -9.517 22 H GLU 11 H GLU 11 -12.036 2.927 -3.708 23 HA GLU 11 HA GLU 11 -9.802 3.238 -2.142 24 1HB GLU 11 2HB GLU 11 -12.051 1.299 -1.570 25 2HB GLU 11 1HB GLU 11 -10.982 2.038 -0.387 26 1HG GLU 11 2HG GLU 11 -11.900 4.244 -0.975 27 2HG GLU 11 1HG GLU 11 -13.008 3.459 -2.097 28 H LEU 12 H LEU 12 -7.911 2.173 -2.111 29 HA LEU 12 HA LEU 12 -6.377 0.553 -2.819 30 1HB LEU 12 2HB LEU 12 -7.345 0.135 -0.341 31 2HB LEU 12 1HB LEU 12 -7.829 -1.374 -1.083 32 HG LEU 12 HG LEU 12 -5.017 -0.329 -0.727 33 1HD1 LEU 12 1HD1 LEU 12 -6.403 -1.417 1.169 34 2HD1 LEU 12 2HD1 LEU 12 -4.734 -1.918 0.900 35 3HD1 LEU 12 3HD1 LEU 12 -6.063 -2.918 0.309 36 1HD2 LEU 12 1HD2 LEU 12 -5.599 -3.046 -1.808 37 2HD2 LEU 12 2HD2 LEU 12 -4.141 -2.065 -1.948 38 3HD2 LEU 12 3HD2 LEU 12 -5.565 -1.665 -2.902 39 H ILE 13 H ILE 13 -7.249 -2.449 -2.629 40 HA ILE 13 HA ILE 13 -8.488 -2.281 -5.260 41 HB ILE 13 HB ILE 13 -6.580 -3.935 -4.865 42 1HG1 ILE 13 2HG1 ILE 13 -7.740 -5.824 -6.033 43 2HG1 ILE 13 1HG1 ILE 13 -9.266 -4.990 -5.755 44 1HG2 ILE 13 1HG2 ILE 13 -7.541 -4.549 -2.553 45 2HG2 ILE 13 2HG2 ILE 13 -6.802 -5.815 -3.535 46 3HG2 ILE 13 3HG2 ILE 13 -8.558 -5.677 -3.453 47 1HD1 ILE 13 1HD1 ILE 13 -8.733 -3.272 -7.225 48 2HD1 ILE 13 2HD1 ILE 13 -8.106 -4.711 -8.028 49 3HD1 ILE 13 3HD1 ILE 13 -7.007 -3.628 -7.173 50 H GLY 14 H GLY 14 -10.512 -1.554 -4.638 51 1HA GLY 14 2HA GLY 14 -12.617 -1.610 -3.701 52 2HA GLY 14 1HA GLY 14 -12.355 -3.323 -3.401 53 H LEU 15 H LEU 15 -9.758 -1.851 -1.933 54 HA LEU 15 HA LEU 15 -11.120 -1.697 0.684 55 1HB LEU 15 2HB LEU 15 -8.214 -2.075 0.721 56 2HB LEU 15 1HB LEU 15 -9.464 -2.871 1.652 57 HG LEU 15 HG LEU 15 -8.699 -3.573 -1.177 58 1HD1 LEU 15 1HD1 LEU 15 -8.235 -5.617 0.789 59 2HD1 LEU 15 2HD1 LEU 15 -7.355 -4.146 1.201 60 3HD1 LEU 15 3HD1 LEU 15 -7.120 -4.901 -0.375 61 1HD2 LEU 15 1HD2 LEU 15 -10.218 -5.345 -1.058 62 2HD2 LEU 15 2HD2 LEU 15 -11.098 -3.985 -0.361 63 3HD2 LEU 15 3HD2 LEU 15 -10.383 -5.205 0.694 64 H SER 16 H SER 16 -9.806 -0.364 2.336 65 HA SER 16 HA SER 16 -8.687 2.035 0.986 66 1HB SER 16 2HB SER 16 -10.175 1.917 3.653 67 2HB SER 16 1HB SER 16 -9.453 3.364 2.948 68 HG SER 16 HG SER 16 -11.557 1.822 1.826 69 H VAL 17 H VAL 17 -6.865 3.093 2.308 70 HA VAL 17 HA VAL 17 -5.564 1.020 3.958 71 HB VAL 17 HB VAL 17 -4.184 2.853 2.001 72 1HG1 VAL 17 1HG1 VAL 17 -2.690 2.383 3.786 73 2HG1 VAL 17 2HG1 VAL 17 -2.242 1.320 2.453 74 3HG1 VAL 17 3HG1 VAL 17 -3.159 0.683 3.818 75 1HG2 VAL 17 1HG2 VAL 17 -4.497 -0.129 1.789 76 2HG2 VAL 17 2HG2 VAL 17 -3.923 1.002 0.563 77 3HG2 VAL 17 3HG2 VAL 17 -5.622 1.003 1.038 78 H ARG 18 H ARG 18 -3.978 1.677 5.428 79 HA ARG 18 HA ARG 18 -3.900 4.474 6.241 80 1HB ARG 18 2HB ARG 18 -5.726 3.538 7.571 81 2HB ARG 18 1HB ARG 18 -4.702 2.202 8.077 82 1HG ARG 18 2HG ARG 18 -3.249 3.755 9.269 83 2HG ARG 18 1HG ARG 18 -4.262 5.103 8.751 84 1HD ARG 18 2HD ARG 18 -4.799 4.431 11.031 85 2HD ARG 18 1HD ARG 18 -6.160 4.145 9.950 86 HE ARG 18 HE ARG 18 -4.646 1.799 10.107 87 1HH1 ARG 18 1HH1 ARG 18 -6.690 3.777 12.129 88 2HH1 ARG 18 2HH1 ARG 18 -7.203 2.454 13.121 89 1HH2 ARG 18 1HH2 ARG 18 -5.320 0.056 11.411 90 2HH2 ARG 18 2HH2 ARG 18 -6.424 0.341 12.713 91 H ILE 19 H ILE 19 -1.770 4.861 6.155 92 HA ILE 19 HA ILE 19 0.132 2.735 6.684 93 HB ILE 19 HB ILE 19 0.659 5.602 5.900 94 1HG1 ILE 19 2HG1 ILE 19 0.496 3.100 4.203 95 2HG1 ILE 19 1HG1 ILE 19 -0.684 4.410 4.219 96 1HG2 ILE 19 1HG2 ILE 19 2.735 5.018 6.538 97 2HG2 ILE 19 2HG2 ILE 19 2.766 4.156 5.000 98 3HG2 ILE 19 3HG2 ILE 19 2.376 3.293 6.487 99 1HD1 ILE 19 1HD1 ILE 19 0.751 4.611 2.281 100 2HD1 ILE 19 2HD1 ILE 19 2.186 4.600 3.308 101 3HD1 ILE 19 3HD1 ILE 19 1.056 5.952 3.389 102 H ALA 20 H ALA 20 1.605 2.655 8.320 103 HA ALA 20 HA ALA 20 1.217 4.582 10.510 104 1HB ALA 20 1HB ALA 20 1.214 2.921 12.031 105 2HB ALA 20 2HB ALA 20 2.416 1.973 11.153 106 3HB ALA 20 3HB ALA 20 0.726 1.941 10.649 107 H ARG 21 H ARG 21 3.509 3.073 8.414 108 HA ARG 21 HA ARG 21 5.555 4.890 9.261 109 1HB ARG 21 2HB ARG 21 5.976 1.920 9.598 110 2HB ARG 21 1HB ARG 21 7.242 3.133 9.716 111 1HG ARG 21 2HG ARG 21 6.041 4.152 11.617 112 2HG ARG 21 1HG ARG 21 4.854 2.849 11.527 113 1HD ARG 21 2HD ARG 21 6.623 1.207 11.933 114 2HD ARG 21 1HD ARG 21 7.812 2.507 12.020 115 HE ARG 21 HE ARG 21 6.115 1.633 14.106 116 1HH1 ARG 21 1HH1 ARG 21 7.534 4.519 12.751 117 2HH1 ARG 21 2HH1 ARG 21 7.445 5.410 14.233 118 1HH2 ARG 21 1HH2 ARG 21 6.002 2.800 16.056 119 2HH2 ARG 21 2HH2 ARG 21 6.578 4.432 16.110 120 H SER 22 H SER 22 6.840 5.437 7.596 121 HA SER 22 HA SER 22 7.082 3.613 5.317 122 1HB SER 22 2HB SER 22 6.272 6.521 5.079 123 2HB SER 22 1HB SER 22 6.627 5.442 3.730 124 HG SER 22 HG SER 22 4.634 4.865 5.649 125 H VAL 23 H VAL 23 8.795 4.332 3.778 126 HA VAL 23 HA VAL 23 11.194 4.875 5.159 127 HB VAL 23 HB VAL 23 11.190 3.567 3.106 128 1HG1 VAL 23 1HG1 VAL 23 9.388 4.832 1.962 129 2HG1 VAL 23 2HG1 VAL 23 10.793 4.532 0.937 130 3HG1 VAL 23 3HG1 VAL 23 10.545 6.126 1.649 131 1HG2 VAL 23 1HG2 VAL 23 13.243 4.752 3.765 132 2HG2 VAL 23 2HG2 VAL 23 12.761 6.120 2.764 133 3HG2 VAL 23 3HG2 VAL 23 13.120 4.565 2.015 134 H HIS 24 H HIS 24 9.226 6.872 2.974 135 HA HIS 24 HA HIS 24 10.885 9.194 3.571 136 1HB HIS 24 2HB HIS 24 8.578 8.818 1.655 137 2HB HIS 24 1HB HIS 24 9.450 10.329 1.873 138 HD1 HIS 24 1HD HIS 24 9.609 9.473 -0.876 139 HD2 HIS 24 2HD HIS 24 12.175 7.870 1.973 140 HE1 HIS 24 1HE HIS 24 11.573 8.577 -2.167 141 HE2 HIS 24 2HE HIS 24 13.064 7.526 -0.430 142 H ARG 25 H ARG 25 10.248 10.904 4.779 143 HA ARG 25 HA ARG 25 8.188 10.511 6.670 144 1HB ARG 25 2HB ARG 25 9.896 12.900 6.018 145 2HB ARG 25 1HB ARG 25 8.711 12.909 7.314 146 1HG ARG 25 2HG ARG 25 10.926 12.473 8.182 147 2HG ARG 25 1HG ARG 25 9.888 11.065 8.404 148 1HD ARG 25 2HD ARG 25 10.900 9.984 6.481 149 2HD ARG 25 1HD ARG 25 11.884 11.414 6.168 150 HE ARG 25 HE ARG 25 13.362 10.630 7.708 151 1HH1 ARG 25 1HH1 ARG 25 10.252 9.191 8.379 152 2HH1 ARG 25 2HH1 ARG 25 10.838 8.247 9.706 153 1HH2 ARG 25 1HH2 ARG 25 14.134 9.380 9.448 154 2HH2 ARG 25 2HH2 ARG 25 13.041 8.351 10.311 155 H ASP 26 H ASP 26 8.244 12.111 3.599 156 HA ASP 26 HA ASP 26 5.930 13.703 4.061 157 1HB ASP 26 2HB ASP 26 5.954 14.108 1.627 158 2HB ASP 26 1HB ASP 26 7.530 14.378 2.364 159 H ILE 27 H ILE 27 6.270 10.409 3.683 160 HA ILE 27 HA ILE 27 3.493 10.174 2.808 161 HB ILE 27 HB ILE 27 3.979 8.088 1.677 162 1HG1 ILE 27 2HG1 ILE 27 6.860 8.620 2.445 163 2HG1 ILE 27 1HG1 ILE 27 5.847 7.318 3.054 164 1HG2 ILE 27 1HG2 ILE 27 5.563 9.025 -0.114 165 2HG2 ILE 27 2HG2 ILE 27 5.582 10.489 0.870 166 3HG2 ILE 27 3HG2 ILE 27 4.061 9.894 0.207 167 1HD1 ILE 27 1HD1 ILE 27 7.372 6.490 1.386 168 2HD1 ILE 27 2HD1 ILE 27 6.779 7.671 0.219 169 3HD1 ILE 27 3HD1 ILE 27 5.714 6.388 0.792 170 H GLN 28 H GLN 28 5.491 9.816 5.363 171 HA GLN 28 HA GLN 28 4.549 7.274 6.314 172 1HB GLN 28 2HB GLN 28 6.814 7.959 6.850 173 2HB GLN 28 1HB GLN 28 6.218 9.408 7.643 174 1HG GLN 28 2HG GLN 28 5.183 8.098 9.373 175 2HG GLN 28 1HG GLN 28 5.617 6.604 8.544 176 1HE2 GLN 28 1HE2 GLN 28 6.399 8.455 11.070 177 2HE2 GLN 28 2HE2 GLN 28 8.081 8.094 11.219 178 H GLY 29 H GLY 29 3.209 6.911 8.082 179 1HA GLY 29 2HA GLY 29 1.433 7.281 9.482 180 2HA GLY 29 1HA GLY 29 2.077 8.900 9.708 181 H ILE 30 H ILE 30 1.346 8.071 6.466 182 HA ILE 30 HA ILE 30 -1.008 9.782 6.598 183 HB ILE 30 HB ILE 30 0.593 9.024 4.159 184 1HG1 ILE 30 2HG1 ILE 30 0.656 11.525 5.862 185 2HG1 ILE 30 1HG1 ILE 30 1.960 10.360 5.651 186 1HG2 ILE 30 1HG2 ILE 30 -1.026 11.451 4.081 187 2HG2 ILE 30 2HG2 ILE 30 -1.976 9.980 4.296 188 3HG2 ILE 30 3HG2 ILE 30 -0.894 10.137 2.912 189 1HD1 ILE 30 1HD1 ILE 30 2.616 12.051 4.239 190 2HD1 ILE 30 2HD1 ILE 30 0.962 12.443 3.767 191 3HD1 ILE 30 3HD1 ILE 30 1.741 10.994 3.130 192 H SER 31 H SER 31 -2.983 9.038 6.112 193 HA SER 31 HA SER 31 -3.251 6.222 5.378 194 1HB SER 31 2HB SER 31 -5.348 8.239 6.238 195 2HB SER 31 1HB SER 31 -5.628 6.517 5.975 196 HG SER 31 HG SER 31 -3.790 7.574 7.862 197 H GLY 32 H GLY 32 -4.984 5.668 3.712 198 1HA GLY 32 2HA GLY 32 -6.040 7.467 1.912 199 2HA GLY 32 1HA GLY 32 -4.410 7.144 1.335 200 H ARG 33 H ARG 33 -5.993 6.425 -0.465 201 HA ARG 33 HA ARG 33 -6.610 3.595 -0.018 202 1HB ARG 33 2HB ARG 33 -7.949 5.647 -1.726 203 2HB ARG 33 1HB ARG 33 -8.156 3.937 -2.038 204 1HG ARG 33 2HG ARG 33 -9.998 4.592 -0.740 205 2HG ARG 33 1HG ARG 33 -8.924 3.712 0.342 206 1HD ARG 33 2HD ARG 33 -8.047 5.867 1.169 207 2HD ARG 33 1HD ARG 33 -9.192 6.706 0.127 208 HE ARG 33 HE ARG 33 -10.620 4.925 1.735 209 1HH1 ARG 33 1HH1 ARG 33 -8.727 7.840 2.054 210 2HH1 ARG 33 2HH1 ARG 33 -9.583 8.393 3.453 211 1HH2 ARG 33 1HH2 ARG 33 -11.748 5.652 3.577 212 2HH2 ARG 33 2HH2 ARG 33 -11.298 7.150 4.319 213 H VAL 34 H VAL 34 -6.547 2.284 -1.990 214 HA VAL 34 HA VAL 34 -4.011 2.793 -3.415 215 HB VAL 34 HB VAL 34 -5.184 0.318 -2.370 216 1HG1 VAL 34 1HG1 VAL 34 -3.958 -1.121 -3.963 217 2HG1 VAL 34 2HG1 VAL 34 -3.710 0.288 -4.987 218 3HG1 VAL 34 3HG1 VAL 34 -5.351 -0.302 -4.677 219 1HG2 VAL 34 1HG2 VAL 34 -3.077 -0.060 -1.597 220 2HG2 VAL 34 2HG2 VAL 34 -3.039 1.698 -1.734 221 3HG2 VAL 34 3HG2 VAL 34 -2.316 0.698 -2.994 222 H VAL 35 H VAL 35 -3.711 2.064 -5.629 223 HA VAL 35 HA VAL 35 -6.231 1.977 -7.150 224 HB VAL 35 HB VAL 35 -4.905 4.176 -7.436 225 1HG1 VAL 35 1HG1 VAL 35 -3.126 4.127 -9.084 226 2HG1 VAL 35 2HG1 VAL 35 -3.169 2.370 -9.085 227 3HG1 VAL 35 3HG1 VAL 35 -2.701 3.241 -7.631 228 1HG2 VAL 35 1HG2 VAL 35 -5.136 3.282 -10.151 229 2HG2 VAL 35 2HG2 VAL 35 -6.180 4.377 -9.248 230 3HG2 VAL 35 3HG2 VAL 35 -6.464 2.638 -9.187 231 H ASP 36 H ASP 36 -2.746 1.274 -7.173 232 HA ASP 36 HA ASP 36 -3.194 -1.413 -8.003 233 1HB ASP 36 2HB ASP 36 -3.357 -0.400 -10.188 234 2HB ASP 36 1HB ASP 36 -1.864 0.501 -9.929 235 H GLU 37 H GLU 37 -1.073 -2.621 -8.175 236 HA GLU 37 HA GLU 37 0.824 -1.476 -6.237 237 1HB GLU 37 2HB GLU 37 0.462 -4.348 -7.120 238 2HB GLU 37 1HB GLU 37 1.569 -3.787 -5.874 239 1HG GLU 37 2HG GLU 37 -1.436 -3.616 -5.782 240 2HG GLU 37 1HG GLU 37 -0.429 -4.769 -4.906 241 H THR 38 H THR 38 3.026 -1.414 -6.640 242 HA THR 38 HA THR 38 3.846 -1.990 -9.411 243 HB THR 38 HB THR 38 4.739 0.321 -7.678 244 HG1 THR 38 1HG THR 38 3.626 1.565 -9.186 245 1HG2 THR 38 1HG2 THR 38 5.717 1.119 -9.889 246 2HG2 THR 38 2HG2 THR 38 5.602 -0.565 -10.402 247 3HG2 THR 38 3HG2 THR 38 6.595 -0.133 -9.009 248 H ARG 39 H ARG 39 6.068 -2.541 -9.721 249 HA ARG 39 HA ARG 39 7.082 -4.554 -8.246 250 1HB ARG 39 2HB ARG 39 7.999 -3.911 -10.406 251 2HB ARG 39 1HB ARG 39 8.687 -2.452 -9.706 252 1HG ARG 39 2HG ARG 39 10.143 -3.827 -8.294 253 2HG ARG 39 1HG ARG 39 9.466 -5.282 -9.028 254 1HD ARG 39 2HD ARG 39 10.942 -3.096 -10.494 255 2HD ARG 39 1HD ARG 39 11.621 -4.656 -10.029 256 HE ARG 39 HE ARG 39 9.318 -5.116 -11.545 257 1HH1 ARG 39 1HH1 ARG 39 12.532 -3.814 -11.949 258 2HH1 ARG 39 2HH1 ARG 39 12.642 -4.271 -13.616 259 1HH2 ARG 39 1HH2 ARG 39 9.463 -5.718 -13.736 260 2HH2 ARG 39 2HH2 ARG 39 10.901 -5.351 -14.631 261 H ASN 40 H ASN 40 7.900 -1.125 -7.721 262 HA ASN 40 HA ASN 40 8.773 -1.882 -5.020 263 1HB ASN 40 2HB ASN 40 10.637 -0.289 -5.146 264 2HB ASN 40 1HB ASN 40 10.788 -1.577 -6.330 265 1HD2 ASN 40 1HD2 ASN 40 8.420 0.534 -7.418 266 2HD2 ASN 40 2HD2 ASN 40 9.404 1.512 -8.433 267 H THR 41 H THR 41 6.298 -0.602 -6.159 268 HA THR 41 HA THR 41 6.092 1.439 -4.138 269 HB THR 41 HB THR 41 5.270 3.174 -5.784 270 HG1 THR 41 1HG THR 41 5.952 2.948 -7.910 271 1HG2 THR 41 1HG2 THR 41 7.513 3.277 -4.723 272 2HG2 THR 41 2HG2 THR 41 7.405 4.064 -6.298 273 3HG2 THR 41 3HG2 THR 41 8.166 2.479 -6.153 274 H LEU 42 H LEU 42 3.868 2.499 -4.238 275 HA LEU 42 HA LEU 42 1.856 0.635 -5.300 276 1HB LEU 42 2HB LEU 42 1.722 1.857 -2.545 277 2HB LEU 42 1HB LEU 42 0.566 0.749 -3.259 278 HG LEU 42 HG LEU 42 3.372 0.145 -2.367 279 1HD1 LEU 42 1HD1 LEU 42 0.637 -0.624 -1.403 280 2HD1 LEU 42 2HD1 LEU 42 1.966 0.105 -0.501 281 3HD1 LEU 42 3HD1 LEU 42 2.064 -1.582 -1.005 282 1HD2 LEU 42 1HD2 LEU 42 3.444 -1.467 -3.918 283 2HD2 LEU 42 2HD2 LEU 42 1.781 -1.146 -4.408 284 3HD2 LEU 42 3HD2 LEU 42 2.108 -2.245 -3.070 285 H ARG 43 H ARG 43 0.609 1.771 -6.655 286 HA ARG 43 HA ARG 43 0.427 4.633 -6.380 287 1HB ARG 43 2HB ARG 43 0.545 3.359 -8.578 288 2HB ARG 43 1HB ARG 43 -1.119 2.894 -8.303 289 1HG ARG 43 2HG ARG 43 -1.810 5.218 -8.352 290 2HG ARG 43 1HG ARG 43 -0.130 5.733 -8.491 291 1HD ARG 43 2HD ARG 43 -0.043 4.313 -10.610 292 2HD ARG 43 1HD ARG 43 -1.801 4.262 -10.512 293 HE ARG 43 HE ARG 43 -0.216 6.415 -11.451 294 1HH1 ARG 43 1HH1 ARG 43 -3.153 5.743 -9.695 295 2HH1 ARG 43 2HH1 ARG 43 -3.897 7.242 -10.121 296 1HH2 ARG 43 1HH2 ARG 43 -1.190 8.391 -12.003 297 2HH2 ARG 43 2HH2 ARG 43 -2.782 8.750 -11.425 298 H ILE 44 H ILE 44 -0.972 5.608 -5.158 299 HA ILE 44 HA ILE 44 -3.101 4.116 -3.886 300 HB ILE 44 HB ILE 44 -1.516 6.530 -3.263 301 1HG1 ILE 44 2HG1 ILE 44 -2.527 4.201 -1.635 302 2HG1 ILE 44 1HG1 ILE 44 -0.924 4.365 -2.342 303 1HG2 ILE 44 1HG2 ILE 44 -3.581 6.464 -1.321 304 2HG2 ILE 44 2HG2 ILE 44 -4.318 6.672 -2.907 305 3HG2 ILE 44 3HG2 ILE 44 -3.076 7.794 -2.360 306 1HD1 ILE 44 1HD1 ILE 44 -1.929 5.330 0.169 307 2HD1 ILE 44 2HD1 ILE 44 -1.258 6.649 -0.791 308 3HD1 ILE 44 3HD1 ILE 44 -0.269 5.236 -0.419 309 H GLU 45 H GLU 45 -5.152 4.165 -4.655 310 HA GLU 45 HA GLU 45 -6.062 6.740 -5.749 311 1HB GLU 45 2HB GLU 45 -6.236 5.154 -7.539 312 2HB GLU 45 1HB GLU 45 -6.964 3.941 -6.493 313 1HG GLU 45 2HG GLU 45 -8.928 5.447 -6.239 314 2HG GLU 45 1HG GLU 45 -8.193 6.532 -7.416 315 H MET 46 H MET 46 -7.808 7.618 -4.887 316 HA MET 46 HA MET 46 -9.145 6.255 -2.648 317 1HB MET 46 2HB MET 46 -8.413 9.163 -2.997 318 2HB MET 46 1HB MET 46 -9.454 8.566 -1.711 319 1HG MET 46 2HG MET 46 -7.696 7.335 -0.730 320 2HG MET 46 1HG MET 46 -6.663 7.549 -2.137 321 1HE MET 46 1HE MET 46 -5.650 9.374 -2.897 322 2HE MET 46 2HE MET 46 -4.740 10.387 -1.774 323 3HE MET 46 3HE MET 46 -6.208 11.006 -2.526 324 H ASP 47 H ASP 47 -11.279 6.084 -2.693 325 HA ASP 47 HA ASP 47 -12.841 6.410 -4.901 326 1HB ASP 47 2HB ASP 47 -13.535 5.106 -2.959 327 2HB ASP 47 1HB ASP 47 -13.737 6.583 -2.023 328 H ASP 48 H ASP 48 -11.958 8.865 -2.630 329 HA ASP 48 HA ASP 48 -13.968 10.746 -3.148 330 1HB ASP 48 2HB ASP 48 -12.373 10.977 -1.297 331 2HB ASP 48 1HB ASP 48 -11.064 11.232 -2.446 332 H GLY 49 H GLY 49 -11.596 9.518 -5.222 333 1HA GLY 49 2HA GLY 49 -11.607 10.016 -7.547 334 2HA GLY 49 1HA GLY 49 -12.170 11.640 -7.166 335 H ARG 50 H ARG 50 -9.675 10.314 -5.231 336 HA ARG 50 HA ARG 50 -7.757 12.165 -6.469 337 1HB ARG 50 2HB ARG 50 -7.793 10.934 -3.709 338 2HB ARG 50 1HB ARG 50 -6.549 12.022 -4.310 339 1HG ARG 50 2HG ARG 50 -8.161 13.809 -4.520 340 2HG ARG 50 1HG ARG 50 -9.465 12.724 -4.034 341 1HD ARG 50 2HD ARG 50 -7.092 13.471 -2.328 342 2HD ARG 50 1HD ARG 50 -8.702 14.176 -2.193 343 HE ARG 50 HE ARG 50 -8.919 11.389 -1.974 344 1HH1 ARG 50 1HH1 ARG 50 -7.647 14.112 -0.197 345 2HH1 ARG 50 2HH1 ARG 50 -7.866 13.364 1.350 346 1HH2 ARG 50 1HH2 ARG 50 -9.210 10.405 0.059 347 2HH2 ARG 50 2HH2 ARG 50 -8.753 11.258 1.495 348 H GLU 51 H GLU 51 -5.491 11.497 -6.541 349 HA GLU 51 HA GLU 51 -4.935 8.658 -6.438 350 1HB GLU 51 2HB GLU 51 -4.795 10.207 -9.029 351 2HB GLU 51 1HB GLU 51 -4.117 8.603 -8.787 352 1HG GLU 51 2HG GLU 51 -6.357 7.735 -8.316 353 2HG GLU 51 1HG GLU 51 -7.028 9.343 -8.580 354 H ILE 52 H ILE 52 -2.925 8.355 -5.727 355 HA ILE 52 HA ILE 52 -0.767 10.139 -6.487 356 HB ILE 52 HB ILE 52 -1.735 11.347 -4.586 357 1HG1 ILE 52 2HG1 ILE 52 0.902 10.011 -3.931 358 2HG1 ILE 52 1HG1 ILE 52 0.693 11.434 -4.952 359 1HG2 ILE 52 1HG2 ILE 52 -1.547 10.295 -2.309 360 2HG2 ILE 52 2HG2 ILE 52 -1.289 8.755 -3.127 361 3HG2 ILE 52 3HG2 ILE 52 -2.803 9.630 -3.351 362 1HD1 ILE 52 1HD1 ILE 52 0.050 11.264 -2.007 363 2HD1 ILE 52 2HD1 ILE 52 -0.159 12.688 -3.025 364 3HD1 ILE 52 3HD1 ILE 52 1.460 12.054 -2.719 365 H THR 53 H THR 53 1.337 9.284 -5.950 366 HA THR 53 HA THR 53 1.273 6.384 -5.600 367 HB THR 53 HB THR 53 3.529 8.219 -6.429 368 HG1 THR 53 1HG THR 53 2.948 7.795 -8.429 369 1HG2 THR 53 1HG2 THR 53 4.565 6.121 -7.291 370 2HG2 THR 53 2HG2 THR 53 3.374 5.220 -6.352 371 3HG2 THR 53 3HG2 THR 53 4.535 6.267 -5.535 372 H VAL 54 H VAL 54 2.714 5.276 -4.165 373 HA VAL 54 HA VAL 54 4.039 6.805 -2.083 374 HB VAL 54 HB VAL 54 1.871 4.836 -1.341 375 1HG1 VAL 54 1HG1 VAL 54 2.276 5.617 0.947 376 2HG1 VAL 54 2HG1 VAL 54 3.573 6.660 0.363 377 3HG1 VAL 54 3HG1 VAL 54 3.731 4.906 0.244 378 1HG2 VAL 54 1HG2 VAL 54 0.725 6.743 -2.117 379 2HG2 VAL 54 2HG2 VAL 54 1.898 7.844 -1.395 380 3HG2 VAL 54 3HG2 VAL 54 0.794 6.936 -0.365 381 HA PRO 55 HA PRO 55 6.674 3.222 -2.958 382 1HB PRO 55 2HB PRO 55 8.626 4.042 -1.149 383 2HB PRO 55 1HB PRO 55 8.577 4.450 -2.864 384 1HG PRO 55 2HG PRO 55 7.823 6.059 -0.507 385 2HG PRO 55 1HG PRO 55 8.459 6.584 -2.069 386 1HD PRO 55 2HD PRO 55 5.849 6.864 -1.331 387 2HD PRO 55 1HD PRO 55 6.381 6.700 -3.016 388 H LYS 56 H LYS 56 6.104 1.338 -2.068 389 HA LYS 56 HA LYS 56 5.720 1.193 0.831 390 1HB LYS 56 2HB LYS 56 4.301 -0.610 0.542 391 2HB LYS 56 1HB LYS 56 3.950 0.394 -0.849 392 1HG LYS 56 2HG LYS 56 5.664 -2.084 -0.809 393 2HG LYS 56 1HG LYS 56 4.043 -1.937 -1.486 394 1HD LYS 56 2HD LYS 56 4.868 -0.369 -3.159 395 2HD LYS 56 1HD LYS 56 6.486 -0.455 -2.458 396 1HE LYS 56 2HE LYS 56 4.963 -2.746 -3.694 397 2HE LYS 56 1HE LYS 56 6.296 -1.866 -4.444 398 1HZ LYS 56 1HZ LYS 56 6.444 -3.522 -1.983 399 2HZ LYS 56 2HZ LYS 56 7.724 -2.611 -2.608 400 3HZ LYS 56 3HZ LYS 56 7.098 -3.908 -3.496 401 H GLY 57 H GLY 57 8.198 0.631 -1.273 402 1HA GLY 57 2HA GLY 57 9.190 -1.881 -0.782 403 2HA GLY 57 1HA GLY 57 10.211 -0.463 -0.965 404 H ILE 58 H ILE 58 8.924 0.745 1.451 405 HA ILE 58 HA ILE 58 9.710 -0.981 3.610 406 HB ILE 58 HB ILE 58 11.033 1.718 3.327 407 1HG1 ILE 58 2HG1 ILE 58 13.159 0.254 3.212 408 2HG1 ILE 58 1HG1 ILE 58 12.068 -1.057 2.772 409 1HG2 ILE 58 1HG2 ILE 58 10.466 0.738 5.631 410 2HG2 ILE 58 2HG2 ILE 58 12.110 1.310 5.351 411 3HG2 ILE 58 3HG2 ILE 58 11.757 -0.417 5.301 412 1HD1 ILE 58 1HD1 ILE 58 13.156 1.028 1.146 413 2HD1 ILE 58 2HD1 ILE 58 11.394 1.093 1.113 414 3HD1 ILE 58 3HD1 ILE 58 12.231 -0.397 0.672 415 H ALA 59 H ALA 59 7.246 -0.497 3.337 416 HA ALA 59 HA ALA 59 6.619 1.592 5.275 417 1HB ALA 59 1HB ALA 59 4.903 2.595 3.930 418 2HB ALA 59 2HB ALA 59 5.159 1.405 2.652 419 3HB ALA 59 3HB ALA 59 6.415 2.588 3.022 420 H VAL 60 H VAL 60 5.427 0.712 6.870 421 HA VAL 60 HA VAL 60 4.001 -1.723 6.553 422 HB VAL 60 HB VAL 60 3.316 -1.401 8.835 423 1HG1 VAL 60 1HG1 VAL 60 5.710 -2.025 8.189 424 2HG1 VAL 60 2HG1 VAL 60 5.395 -1.557 9.860 425 3HG1 VAL 60 3HG1 VAL 60 6.128 -0.405 8.746 426 1HG2 VAL 60 1HG2 VAL 60 2.725 0.912 8.884 427 2HG2 VAL 60 2HG2 VAL 60 4.383 1.388 8.508 428 3HG2 VAL 60 3HG2 VAL 60 4.007 0.662 10.071 429 H PHE 61 H PHE 61 2.015 -1.989 5.760 430 HA PHE 61 HA PHE 61 0.253 0.367 5.611 431 1HB PHE 61 2HB PHE 61 0.683 -1.959 3.785 432 2HB PHE 61 1HB PHE 61 -0.887 -1.168 3.803 433 HD1 PHE 61 1HD PHE 61 2.470 0.389 4.164 434 HD2 PHE 61 2HD PHE 61 -0.977 -0.153 1.735 435 HE1 PHE 61 1HE PHE 61 3.309 2.090 2.601 436 HE2 PHE 61 2HE PHE 61 -0.147 1.543 0.167 437 HZ PHE 61 HZ PHE 61 2.001 2.671 0.596 438 H HIS 62 H HIS 62 -1.914 0.198 6.086 439 HA HIS 62 HA HIS 62 -2.896 -2.311 7.239 440 1HB HIS 62 2HB HIS 62 -3.063 0.394 8.592 441 2HB HIS 62 1HB HIS 62 -3.910 -1.051 9.130 442 HD1 HIS 62 1HD HIS 62 -0.284 -0.137 8.379 443 HD2 HIS 62 2HD HIS 62 -2.563 -2.276 11.116 444 HE1 HIS 62 1HE HIS 62 1.355 -1.050 10.052 445 HE2 HIS 62 2HE HIS 62 -0.039 -2.396 11.661 446 H PHE 63 H PHE 63 -4.460 -2.738 5.749 447 HA PHE 63 HA PHE 63 -6.200 -0.509 4.952 448 1HB PHE 63 2HB PHE 63 -6.762 -1.746 2.978 449 2HB PHE 63 1HB PHE 63 -5.013 -1.734 3.141 450 HD1 PHE 63 1HD PHE 63 -3.863 -3.705 2.891 451 HD2 PHE 63 2HD PHE 63 -7.980 -3.841 3.956 452 HE1 PHE 63 1HE PHE 63 -3.842 -6.154 2.643 453 HE2 PHE 63 2HE PHE 63 -7.966 -6.289 3.719 454 HZ PHE 63 HZ PHE 63 -5.895 -7.450 3.060 455 H ARG 64 H ARG 64 -8.353 -0.545 5.160 456 HA ARG 64 HA ARG 64 -9.478 -2.740 6.763 457 1HB ARG 64 2HB ARG 64 -10.325 0.152 6.532 458 2HB ARG 64 1HB ARG 64 -11.235 -1.070 7.405 459 1HG ARG 64 2HG ARG 64 -9.971 0.187 8.981 460 2HG ARG 64 1HG ARG 64 -9.254 -1.419 8.864 461 1HD ARG 64 2HD ARG 64 -7.580 0.405 8.931 462 2HD ARG 64 1HD ARG 64 -7.475 -0.582 7.478 463 HE ARG 64 HE ARG 64 -7.888 1.298 6.265 464 1HH1 ARG 64 1HH1 ARG 64 -9.108 1.814 9.496 465 2HH1 ARG 64 2HH1 ARG 64 -9.620 3.436 9.176 466 1HH2 ARG 64 1HH2 ARG 64 -8.556 3.432 5.847 467 2HH2 ARG 64 2HH2 ARG 64 -9.305 4.356 7.107 468 H THR 65 H THR 65 -11.544 -3.550 6.244 469 HA THR 65 HA THR 65 -12.303 -3.115 3.438 470 HB THR 65 HB THR 65 -12.897 -5.460 5.254 471 HG1 THR 65 1HG THR 65 -11.393 -6.530 3.945 472 1HG2 THR 65 1HG2 THR 65 -14.473 -4.865 3.240 473 2HG2 THR 65 2HG2 THR 65 -13.987 -6.528 3.568 474 3HG2 THR 65 3HG2 THR 65 -13.175 -5.602 2.305 475 HA PRO 66 HA PRO 66 -15.993 -0.911 4.494 476 1HB PRO 66 2HB PRO 66 -17.197 -2.774 2.483 477 2HB PRO 66 1HB PRO 66 -17.369 -1.021 2.634 478 1HG PRO 66 2HG PRO 66 -15.747 -2.072 0.802 479 2HG PRO 66 1HG PRO 66 -15.297 -0.601 1.686 480 1HD PRO 66 2HD PRO 66 -14.262 -3.370 1.968 481 2HD PRO 66 1HD PRO 66 -13.448 -1.823 2.264 482 H GLN 67 H GLN 67 -16.130 -4.440 4.197 483 HA GLN 67 HA GLN 67 -18.554 -4.837 5.552 484 1HB GLN 67 2HB GLN 67 -16.150 -6.662 5.382 485 2HB GLN 67 1HB GLN 67 -17.758 -7.149 5.900 486 1HG GLN 67 2HG GLN 67 -18.642 -6.587 3.694 487 2HG GLN 67 1HG GLN 67 -17.030 -6.099 3.175 488 1HE2 GLN 67 1HE2 GLN 67 -19.202 -8.508 3.000 489 2HE2 GLN 67 2HE2 GLN 67 -18.148 -9.854 2.746 490 H GLY 68 H GLY 68 -15.522 -3.809 6.723 491 1HA GLY 68 2HA GLY 68 -15.349 -2.909 8.936 492 2HA GLY 68 1HA GLY 68 -16.498 -4.126 9.479 493 H GLU 69 H GLU 69 -13.523 -4.418 7.550 494 HA GLU 69 HA GLU 69 -12.430 -6.135 9.684 495 1HB GLU 69 2HB GLU 69 -12.186 -6.584 6.705 496 2HB GLU 69 1HB GLU 69 -11.424 -7.563 7.951 497 1HG GLU 69 2HG GLU 69 -13.619 -8.225 8.782 498 2HG GLU 69 1HG GLU 69 -14.389 -7.235 7.543 499 H LEU 70 H LEU 70 -10.113 -6.263 9.789 500 HA LEU 70 HA LEU 70 -8.730 -3.996 8.514 501 1HB LEU 70 2HB LEU 70 -9.182 -3.454 10.848 502 2HB LEU 70 1HB LEU 70 -8.436 -4.955 11.363 503 HG LEU 70 HG LEU 70 -6.265 -4.164 10.506 504 1HD1 LEU 70 1HD1 LEU 70 -5.960 -1.917 9.736 505 2HD1 LEU 70 2HD1 LEU 70 -7.651 -1.528 10.044 506 3HD1 LEU 70 3HD1 LEU 70 -7.229 -2.661 8.763 507 1HD2 LEU 70 1HD2 LEU 70 -6.833 -3.797 12.843 508 2HD2 LEU 70 2HD2 LEU 70 -7.632 -2.280 12.427 509 3HD2 LEU 70 3HD2 LEU 70 -5.888 -2.444 12.221 510 H VAL 71 H VAL 71 -6.675 -4.379 7.768 511 HA VAL 71 HA VAL 71 -5.502 -7.019 8.300 512 HB VAL 71 HB VAL 71 -5.699 -5.787 5.552 513 1HG1 VAL 71 1HG1 VAL 71 -4.192 -8.060 6.676 514 2HG1 VAL 71 2HG1 VAL 71 -3.831 -7.029 5.292 515 3HG1 VAL 71 3HG1 VAL 71 -4.991 -8.346 5.132 516 1HG2 VAL 71 1HG2 VAL 71 -7.166 -8.128 6.760 517 2HG2 VAL 71 2HG2 VAL 71 -7.174 -7.715 5.046 518 3HG2 VAL 71 3HG2 VAL 71 -7.865 -6.600 6.226 519 H GLU 72 H GLU 72 -3.357 -7.013 8.610 520 HA GLU 72 HA GLU 72 -1.990 -4.440 8.517 521 1HB GLU 72 2HB GLU 72 -1.177 -7.086 9.732 522 2HB GLU 72 1HB GLU 72 -0.222 -5.613 9.816 523 1HG GLU 72 2HG GLU 72 -1.417 -5.935 11.877 524 2HG GLU 72 1HG GLU 72 -2.045 -4.518 11.040 525 H ILE 73 H ILE 73 0.012 -4.132 7.528 526 HA ILE 73 HA ILE 73 0.984 -6.173 5.677 527 HB ILE 73 HB ILE 73 0.246 -3.368 4.833 528 1HG1 ILE 73 2HG1 ILE 73 -0.824 -6.049 3.936 529 2HG1 ILE 73 1HG1 ILE 73 -1.680 -4.872 4.930 530 1HG2 ILE 73 1HG2 ILE 73 2.341 -4.057 3.807 531 2HG2 ILE 73 2HG2 ILE 73 1.050 -3.995 2.609 532 3HG2 ILE 73 3HG2 ILE 73 1.588 -5.550 3.245 533 1HD1 ILE 73 1HD1 ILE 73 -0.719 -4.301 2.136 534 2HD1 ILE 73 2HD1 ILE 73 -1.809 -3.326 3.122 535 3HD1 ILE 73 3HD1 ILE 73 -2.334 -4.898 2.517 536 H ASP 74 H ASP 74 3.184 -6.171 5.556 537 HA ASP 74 HA ASP 74 4.558 -3.949 6.908 538 1HB ASP 74 2HB ASP 74 5.563 -6.764 6.448 539 2HB ASP 74 1HB ASP 74 6.379 -5.497 7.362 540 H GLY 75 H GLY 75 4.999 -2.539 5.339 541 1HA GLY 75 2HA GLY 75 5.785 -3.222 2.709 542 2HA GLY 75 1HA GLY 75 5.861 -1.631 3.429 543 H ARG 76 H ARG 76 7.561 -3.220 5.608 544 HA ARG 76 HA ARG 76 10.048 -2.347 4.566 545 1HB ARG 76 2HB ARG 76 9.501 -4.104 6.955 546 2HB ARG 76 1HB ARG 76 11.036 -3.331 6.591 547 1HG ARG 76 2HG ARG 76 9.833 -1.126 6.740 548 2HG ARG 76 1HG ARG 76 8.453 -2.020 7.381 549 1HD ARG 76 2HD ARG 76 11.222 -1.862 8.562 550 2HD ARG 76 1HD ARG 76 9.752 -1.139 9.212 551 HE ARG 76 HE ARG 76 10.648 -3.793 9.610 552 1HH1 ARG 76 1HH1 ARG 76 7.747 -1.914 9.159 553 2HH1 ARG 76 2HH1 ARG 76 6.727 -3.064 9.954 554 1HH2 ARG 76 1HH2 ARG 76 9.311 -5.305 10.667 555 2HH2 ARG 76 2HH2 ARG 76 7.615 -4.988 10.814 556 H ALA 77 H ALA 77 8.565 -5.481 5.006 557 HA ALA 77 HA ALA 77 10.787 -6.762 3.636 558 1HB ALA 77 1HB ALA 77 9.300 -8.848 4.370 559 2HB ALA 77 2HB ALA 77 8.758 -7.677 5.573 560 3HB ALA 77 3HB ALA 77 10.470 -8.081 5.445 561 H LEU 78 H LEU 78 7.955 -5.368 2.774 562 HA LEU 78 HA LEU 78 6.880 -7.371 1.030 563 1HB LEU 78 2HB LEU 78 5.826 -5.182 2.129 564 2HB LEU 78 1HB LEU 78 6.312 -4.482 0.600 565 HG LEU 78 HG LEU 78 3.980 -5.168 0.534 566 1HD1 LEU 78 1HD1 LEU 78 5.488 -5.382 -1.488 567 2HD1 LEU 78 2HD1 LEU 78 3.990 -6.311 -1.520 568 3HD1 LEU 78 3HD1 LEU 78 5.517 -7.114 -1.157 569 1HD2 LEU 78 1HD2 LEU 78 5.059 -7.590 1.751 570 2HD2 LEU 78 2HD2 LEU 78 3.931 -7.904 0.433 571 3HD2 LEU 78 3HD2 LEU 78 3.430 -6.918 1.806 572 H VAL 79 H VAL 79 9.690 -5.648 0.829 573 HA VAL 79 HA VAL 79 9.869 -4.554 -1.678 574 HB VAL 79 HB VAL 79 12.003 -6.239 -0.357 575 1HG1 VAL 79 1HG1 VAL 79 13.344 -4.311 -1.654 576 2HG1 VAL 79 2HG1 VAL 79 11.959 -4.484 -2.731 577 3HG1 VAL 79 3HG1 VAL 79 12.972 -5.880 -2.368 578 1HG2 VAL 79 1HG2 VAL 79 12.444 -4.572 1.075 579 2HG2 VAL 79 2HG2 VAL 79 10.802 -4.036 0.718 580 3HG2 VAL 79 3HG2 VAL 79 12.168 -3.325 -0.141 581 H ALA 80 H ALA 80 8.890 -5.502 -3.386 582 HA ALA 80 HA ALA 80 9.514 -8.308 -4.000 583 1HB ALA 80 1HB ALA 80 7.348 -6.483 -5.031 584 2HB ALA 80 2HB ALA 80 7.158 -7.850 -3.932 585 3HB ALA 80 3HB ALA 80 7.627 -8.125 -5.609 586 H ARG 81 H ARG 81 11.414 -8.339 -5.103 587 HA ARG 81 HA ARG 81 11.591 -6.580 -7.466 588 1HB ARG 81 2HB ARG 81 13.270 -6.187 -5.576 589 2HB ARG 81 1HB ARG 81 13.971 -7.729 -6.039 590 1HG ARG 81 2HG ARG 81 14.441 -6.894 -8.257 591 2HG ARG 81 1HG ARG 81 13.669 -5.358 -7.862 592 1HD ARG 81 2HD ARG 81 15.348 -5.038 -6.060 593 2HD ARG 81 1HD ARG 81 16.155 -6.512 -6.596 594 HE ARG 81 HE ARG 81 16.424 -3.941 -7.730 595 1HH1 ARG 81 1HH1 ARG 81 16.227 -7.308 -8.627 596 2HH1 ARG 81 2HH1 ARG 81 17.078 -7.089 -10.117 597 1HH2 ARG 81 1HH2 ARG 81 17.549 -3.654 -9.687 598 2HH2 ARG 81 2HH2 ARG 81 17.832 -5.016 -10.718 599 HA PRO 82 HA PRO 82 11.542 -10.130 -10.060 600 1HB PRO 82 2HB PRO 82 13.680 -8.748 -11.589 601 2HB PRO 82 1HB PRO 82 12.140 -9.409 -12.153 602 1HG PRO 82 2HG PRO 82 12.466 -6.783 -11.867 603 2HG PRO 82 1HG PRO 82 10.935 -7.563 -11.429 604 1HD PRO 82 2HD PRO 82 13.127 -6.565 -9.667 605 2HD PRO 82 1HD PRO 82 11.372 -6.533 -9.413 606 H GLU 83 H GLU 83 14.639 -8.885 -8.982 607 HA GLU 83 HA GLU 83 15.773 -11.581 -9.290 608 1HB GLU 83 2HB GLU 83 17.235 -8.954 -9.043 609 2HB GLU 83 1HB GLU 83 17.978 -10.528 -9.289 610 1HG GLU 83 2HG GLU 83 16.115 -9.146 -11.209 611 2HG GLU 83 1HG GLU 83 17.869 -9.240 -11.358 612 H GLU 84 H GLU 84 14.907 -9.248 -6.908 613 HA GLU 84 HA GLU 84 16.701 -10.349 -4.919 614 1HB GLU 84 2HB GLU 84 16.122 -7.933 -4.937 615 2HB GLU 84 1HB GLU 84 14.466 -8.360 -4.530 616 1HG GLU 84 2HG GLU 84 15.648 -7.648 -2.556 617 2HG GLU 84 1HG GLU 84 15.236 -9.358 -2.435 618 H ARG 85 H ARG 85 13.152 -10.230 -5.357 619 HA ARG 85 HA ARG 85 13.017 -12.732 -3.845 620 1HB ARG 85 2HB ARG 85 12.566 -10.923 -2.245 621 2HB ARG 85 1HB ARG 85 11.257 -10.345 -3.268 622 1HG ARG 85 2HG ARG 85 9.977 -12.316 -2.871 623 2HG ARG 85 1HG ARG 85 11.333 -13.097 -2.053 624 1HD ARG 85 2HD ARG 85 9.721 -12.282 -0.430 625 2HD ARG 85 1HD ARG 85 11.238 -11.397 -0.289 626 HE ARG 85 HE ARG 85 10.090 -9.494 -0.767 627 1HH1 ARG 85 1HH1 ARG 85 8.243 -12.202 -1.969 628 2HH1 ARG 85 2HH1 ARG 85 6.922 -11.221 -2.507 629 1HH2 ARG 85 1HH2 ARG 85 8.354 -8.206 -1.472 630 2HH2 ARG 85 2HH2 ARG 85 6.983 -8.952 -2.220 631 H ILE 86 H ILE 86 10.422 -10.565 -4.994 632 HA ILE 86 HA ILE 86 9.040 -12.745 -6.145 633 HB ILE 86 HB ILE 86 8.581 -9.789 -6.507 634 1HG1 ILE 86 2HG1 ILE 86 7.323 -11.890 -4.732 635 2HG1 ILE 86 1HG1 ILE 86 8.236 -10.474 -4.225 636 1HG2 ILE 86 1HG2 ILE 86 6.230 -11.307 -7.001 637 2HG2 ILE 86 2HG2 ILE 86 7.519 -11.964 -8.005 638 3HG2 ILE 86 3HG2 ILE 86 7.108 -10.252 -8.108 639 1HD1 ILE 86 1HD1 ILE 86 5.418 -10.747 -4.899 640 2HD1 ILE 86 2HD1 ILE 86 6.197 -9.363 -5.664 641 3HD1 ILE 86 3HD1 ILE 86 6.240 -9.542 -3.912 Start of MODEL 5 1 H ARG 9 H ARG 9 -9.204 -13.927 -5.766 2 HA ARG 9 HA ARG 9 -8.355 -13.355 -8.494 3 1HB ARG 9 2HB ARG 9 -9.717 -11.376 -8.715 4 2HB ARG 9 1HB ARG 9 -10.759 -12.755 -8.408 5 1HG ARG 9 2HG ARG 9 -9.875 -10.887 -6.230 6 2HG ARG 9 1HG ARG 9 -11.317 -10.602 -7.204 7 1HD ARG 9 2HD ARG 9 -10.776 -13.015 -5.476 8 2HD ARG 9 1HD ARG 9 -11.888 -11.700 -5.111 9 HE ARG 9 HE ARG 9 -12.574 -12.829 -7.590 10 1HH1 ARG 9 1HH1 ARG 9 -12.629 -13.581 -4.183 11 2HH1 ARG 9 2HH1 ARG 9 -13.980 -14.656 -4.314 12 1HH2 ARG 9 1HH2 ARG 9 -14.353 -14.240 -7.764 13 2HH2 ARG 9 2HH2 ARG 9 -14.960 -15.031 -6.348 14 H HIS 10 H HIS 10 -7.217 -11.277 -8.673 15 HA HIS 10 HA HIS 10 -5.878 -10.610 -6.137 16 1HB HIS 10 2HB HIS 10 -4.407 -11.637 -7.821 17 2HB HIS 10 1HB HIS 10 -4.830 -10.370 -8.966 18 HD1 HIS 10 1HD HIS 10 -4.284 -7.823 -7.811 19 HD2 HIS 10 2HD HIS 10 -2.049 -11.122 -6.637 20 HE1 HIS 10 1HE HIS 10 -2.174 -6.886 -6.822 21 HE2 HIS 10 2HE HIS 10 -0.794 -8.902 -6.207 22 H GLU 11 H GLU 11 -7.513 -9.054 -5.625 23 HA GLU 11 HA GLU 11 -7.138 -6.523 -7.073 24 1HB GLU 11 2HB GLU 11 -9.769 -7.592 -6.035 25 2HB GLU 11 1HB GLU 11 -9.524 -5.995 -6.730 26 1HG GLU 11 2HG GLU 11 -8.904 -7.013 -8.859 27 2HG GLU 11 1HG GLU 11 -9.145 -8.615 -8.163 28 H LEU 12 H LEU 12 -7.063 -4.682 -5.819 29 HA LEU 12 HA LEU 12 -7.405 -5.009 -2.921 30 1HB LEU 12 2HB LEU 12 -5.014 -5.268 -3.509 31 2HB LEU 12 1HB LEU 12 -5.039 -3.675 -4.239 32 HG LEU 12 HG LEU 12 -5.487 -2.662 -2.055 33 1HD1 LEU 12 1HD1 LEU 12 -5.317 -5.489 -1.024 34 2HD1 LEU 12 2HD1 LEU 12 -6.749 -4.459 -1.031 35 3HD1 LEU 12 3HD1 LEU 12 -5.365 -4.036 -0.024 36 1HD2 LEU 12 1HD2 LEU 12 -3.120 -3.587 -2.956 37 2HD2 LEU 12 2HD2 LEU 12 -3.210 -4.406 -1.396 38 3HD2 LEU 12 3HD2 LEU 12 -3.309 -2.647 -1.476 39 H ILE 13 H ILE 13 -8.610 -3.508 -5.438 40 HA ILE 13 HA ILE 13 -8.541 -0.775 -4.431 41 HB ILE 13 HB ILE 13 -9.936 -1.923 -6.858 42 1HG1 ILE 13 2HG1 ILE 13 -8.162 -0.670 -8.102 43 2HG1 ILE 13 1HG1 ILE 13 -7.377 -0.334 -6.563 44 1HG2 ILE 13 1HG2 ILE 13 -10.132 0.483 -7.530 45 2HG2 ILE 13 2HG2 ILE 13 -9.641 0.914 -5.891 46 3HG2 ILE 13 3HG2 ILE 13 -11.135 0.014 -6.156 47 1HD1 ILE 13 1HD1 ILE 13 -7.951 -3.151 -7.353 48 2HD1 ILE 13 2HD1 ILE 13 -6.698 -2.516 -6.287 49 3HD1 ILE 13 3HD1 ILE 13 -6.562 -2.302 -8.032 50 H GLY 14 H GLY 14 -10.521 0.420 -4.041 51 1HA GLY 14 2HA GLY 14 -12.858 0.516 -3.586 52 2HA GLY 14 1HA GLY 14 -12.859 -1.229 -3.378 53 H LEU 15 H LEU 15 -10.385 -1.025 -1.695 54 HA LEU 15 HA LEU 15 -11.755 -0.269 0.786 55 1HB LEU 15 2HB LEU 15 -9.893 -1.649 1.844 56 2HB LEU 15 1HB LEU 15 -11.117 -2.508 0.930 57 HG LEU 15 HG LEU 15 -9.599 -2.726 -0.962 58 1HD1 LEU 15 1HD1 LEU 15 -7.825 -1.008 0.729 59 2HD1 LEU 15 2HD1 LEU 15 -8.264 -0.826 -0.969 60 3HD1 LEU 15 3HD1 LEU 15 -7.149 -2.100 -0.479 61 1HD2 LEU 15 1HD2 LEU 15 -9.468 -4.104 1.381 62 2HD2 LEU 15 2HD2 LEU 15 -7.789 -3.608 1.166 63 3HD2 LEU 15 3HD2 LEU 15 -8.603 -4.536 -0.094 64 H SER 16 H SER 16 -10.309 0.556 2.558 65 HA SER 16 HA SER 16 -8.658 2.707 1.466 66 1HB SER 16 2HB SER 16 -10.420 3.347 3.041 67 2HB SER 16 1HB SER 16 -9.738 2.276 4.263 68 HG SER 16 HG SER 16 -7.917 3.577 4.347 69 H VAL 17 H VAL 17 -6.623 3.266 2.516 70 HA VAL 17 HA VAL 17 -5.265 0.971 3.752 71 HB VAL 17 HB VAL 17 -4.587 1.023 1.422 72 1HG1 VAL 17 1HG1 VAL 17 -4.903 3.113 0.555 73 2HG1 VAL 17 2HG1 VAL 17 -3.159 3.157 0.811 74 3HG1 VAL 17 3HG1 VAL 17 -4.238 3.924 1.974 75 1HG2 VAL 17 1HG2 VAL 17 -2.298 0.869 1.748 76 2HG2 VAL 17 2HG2 VAL 17 -2.925 0.669 3.384 77 3HG2 VAL 17 3HG2 VAL 17 -2.263 2.224 2.875 78 H ARG 18 H ARG 18 -3.490 1.491 5.111 79 HA ARG 18 HA ARG 18 -3.153 4.313 5.813 80 1HB ARG 18 2HB ARG 18 -4.847 3.450 7.355 81 2HB ARG 18 1HB ARG 18 -3.779 2.128 7.810 82 1HG ARG 18 2HG ARG 18 -2.202 3.708 8.772 83 2HG ARG 18 1HG ARG 18 -3.230 5.054 8.275 84 1HD ARG 18 2HD ARG 18 -3.994 2.865 10.203 85 2HD ARG 18 1HD ARG 18 -3.537 4.510 10.640 86 HE ARG 18 HE ARG 18 -5.672 4.634 8.837 87 1HH1 ARG 18 1HH1 ARG 18 -5.019 3.599 12.106 88 2HH1 ARG 18 2HH1 ARG 18 -6.632 3.904 12.658 89 1HH2 ARG 18 1HH2 ARG 18 -7.795 5.036 9.563 90 2HH2 ARG 18 2HH2 ARG 18 -8.208 4.720 11.215 91 H ILE 19 H ILE 19 -1.092 4.844 6.164 92 HA ILE 19 HA ILE 19 0.885 2.675 6.262 93 HB ILE 19 HB ILE 19 1.302 5.592 5.590 94 1HG1 ILE 19 2HG1 ILE 19 -0.067 4.457 3.902 95 2HG1 ILE 19 1HG1 ILE 19 1.538 4.824 3.268 96 1HG2 ILE 19 1HG2 ILE 19 3.116 3.322 6.004 97 2HG2 ILE 19 2HG2 ILE 19 3.423 5.056 6.102 98 3HG2 ILE 19 3HG2 ILE 19 3.409 4.251 4.534 99 1HD1 ILE 19 1HD1 ILE 19 0.610 2.136 4.284 100 2HD1 ILE 19 2HD1 ILE 19 2.217 2.502 3.652 101 3HD1 ILE 19 3HD1 ILE 19 0.810 2.597 2.590 102 H ALA 20 H ALA 20 1.484 2.182 8.288 103 HA ALA 20 HA ALA 20 1.420 4.134 10.405 104 1HB ALA 20 1HB ALA 20 0.910 2.133 11.338 105 2HB ALA 20 2HB ALA 20 2.658 2.070 11.567 106 3HB ALA 20 3HB ALA 20 1.915 1.225 10.210 107 H ARG 21 H ARG 21 3.711 3.052 8.112 108 HA ARG 21 HA ARG 21 5.670 4.891 9.089 109 1HB ARG 21 2HB ARG 21 6.170 2.882 10.439 110 2HB ARG 21 1HB ARG 21 6.385 1.965 8.956 111 1HG ARG 21 2HG ARG 21 8.529 2.587 9.866 112 2HG ARG 21 1HG ARG 21 8.255 3.424 8.336 113 1HD ARG 21 2HD ARG 21 7.592 5.437 9.547 114 2HD ARG 21 1HD ARG 21 7.831 4.602 11.082 115 HE ARG 21 HE ARG 21 10.210 4.466 9.610 116 1HH1 ARG 21 1HH1 ARG 21 8.230 6.827 11.247 117 2HH1 ARG 21 2HH1 ARG 21 9.561 7.870 11.621 118 1HH2 ARG 21 1HH2 ARG 21 11.964 5.837 10.100 119 2HH2 ARG 21 2HH2 ARG 21 11.680 7.309 10.969 120 H SER 22 H SER 22 7.153 5.473 7.536 121 HA SER 22 HA SER 22 7.036 4.106 4.950 122 1HB SER 22 2HB SER 22 6.601 7.079 5.311 123 2HB SER 22 1HB SER 22 6.793 6.261 3.761 124 HG SER 22 HG SER 22 4.815 5.525 3.894 125 H VAL 23 H VAL 23 8.737 4.878 3.439 126 HA VAL 23 HA VAL 23 11.270 4.748 4.604 127 HB VAL 23 HB VAL 23 10.847 4.137 2.266 128 1HG1 VAL 23 1HG1 VAL 23 10.576 5.834 0.544 129 2HG1 VAL 23 2HG1 VAL 23 10.587 7.102 1.770 130 3HG1 VAL 23 3HG1 VAL 23 9.267 5.931 1.722 131 1HG2 VAL 23 1HG2 VAL 23 13.117 4.440 2.648 132 2HG2 VAL 23 2HG2 VAL 23 12.948 6.179 2.883 133 3HG2 VAL 23 3HG2 VAL 23 12.816 5.493 1.265 134 H HIS 24 H HIS 24 9.397 7.531 3.476 135 HA HIS 24 HA HIS 24 11.391 9.303 4.728 136 1HB HIS 24 2HB HIS 24 9.492 9.868 2.441 137 2HB HIS 24 1HB HIS 24 10.523 11.075 3.205 138 HD1 HIS 24 1HD HIS 24 11.121 10.945 0.400 139 HD2 HIS 24 2HD HIS 24 12.736 8.136 2.999 140 HE1 HIS 24 1HE HIS 24 13.130 10.010 -0.786 141 HE2 HIS 24 2HE HIS 24 14.147 8.381 0.846 142 H ARG 25 H ARG 25 10.744 10.732 6.252 143 HA ARG 25 HA ARG 25 8.345 10.292 7.635 144 1HB ARG 25 2HB ARG 25 10.163 12.701 7.750 145 2HB ARG 25 1HB ARG 25 8.947 12.277 8.947 146 1HG ARG 25 2HG ARG 25 10.161 10.224 9.461 147 2HG ARG 25 1HG ARG 25 11.382 10.645 8.258 148 1HD ARG 25 2HD ARG 25 11.885 12.696 9.525 149 2HD ARG 25 1HD ARG 25 10.698 12.223 10.738 150 HE ARG 25 HE ARG 25 12.290 10.884 11.655 151 1HH1 ARG 25 1HH1 ARG 25 13.132 11.412 8.308 152 2HH1 ARG 25 2HH1 ARG 25 14.591 10.485 8.400 153 1HH2 ARG 25 1HH2 ARG 25 14.214 9.670 11.777 154 2HH2 ARG 25 2HH2 ARG 25 15.207 9.499 10.368 155 H ASP 26 H ASP 26 9.092 12.332 4.963 156 HA ASP 26 HA ASP 26 6.997 14.202 5.265 157 1HB ASP 26 2HB ASP 26 8.458 13.333 2.766 158 2HB ASP 26 1HB ASP 26 7.420 14.750 2.894 159 H ILE 27 H ILE 27 7.096 10.970 4.122 160 HA ILE 27 HA ILE 27 4.376 11.215 3.087 161 HB ILE 27 HB ILE 27 4.778 9.121 1.853 162 1HG1 ILE 27 2HG1 ILE 27 7.611 9.443 2.873 163 2HG1 ILE 27 1HG1 ILE 27 6.491 8.157 3.310 164 1HG2 ILE 27 1HG2 ILE 27 5.061 11.003 0.527 165 2HG2 ILE 27 2HG2 ILE 27 6.574 10.126 0.291 166 3HG2 ILE 27 3HG2 ILE 27 6.517 11.512 1.381 167 1HD1 ILE 27 1HD1 ILE 27 6.668 7.126 1.247 168 2HD1 ILE 27 2HD1 ILE 27 8.312 7.692 1.547 169 3HD1 ILE 27 3HD1 ILE 27 7.256 8.587 0.454 170 H GLN 28 H GLN 28 6.291 9.867 5.564 171 HA GLN 28 HA GLN 28 4.906 7.536 6.204 172 1HB GLN 28 2HB GLN 28 7.052 8.166 7.220 173 2HB GLN 28 1HB GLN 28 6.268 9.490 8.069 174 1HG GLN 28 2HG GLN 28 5.265 6.722 8.491 175 2HG GLN 28 1HG GLN 28 6.772 7.212 9.258 176 1HE2 GLN 28 1HE2 GLN 28 6.563 7.965 11.226 177 2HE2 GLN 28 2HE2 GLN 28 5.173 8.753 11.881 178 H GLY 29 H GLY 29 3.090 7.077 7.351 179 1HA GLY 29 2HA GLY 29 1.175 7.453 8.608 180 2HA GLY 29 1HA GLY 29 1.686 9.118 8.830 181 H ILE 30 H ILE 30 1.640 7.981 5.593 182 HA ILE 30 HA ILE 30 -0.401 9.859 4.908 183 HB ILE 30 HB ILE 30 1.502 9.530 3.421 184 1HG1 ILE 30 2HG1 ILE 30 0.266 9.270 1.298 185 2HG1 ILE 30 1HG1 ILE 30 -1.112 8.625 2.186 186 1HG2 ILE 30 1HG2 ILE 30 1.267 6.884 3.978 187 2HG2 ILE 30 2HG2 ILE 30 2.218 7.549 2.650 188 3HG2 ILE 30 3HG2 ILE 30 0.585 6.958 2.352 189 1HD1 ILE 30 1HD1 ILE 30 -1.361 10.759 3.351 190 2HD1 ILE 30 2HD1 ILE 30 -1.449 10.966 1.601 191 3HD1 ILE 30 3HD1 ILE 30 0.024 11.404 2.469 192 H SER 31 H SER 31 -2.431 9.338 5.466 193 HA SER 31 HA SER 31 -3.393 6.609 5.043 194 1HB SER 31 2HB SER 31 -3.907 7.649 7.207 195 2HB SER 31 1HB SER 31 -4.720 8.980 6.385 196 HG SER 31 HG SER 31 -6.315 7.586 6.929 197 H GLY 32 H GLY 32 -4.916 6.074 3.520 198 1HA GLY 32 2HA GLY 32 -6.637 7.887 2.240 199 2HA GLY 32 1HA GLY 32 -5.188 7.721 1.260 200 H ARG 33 H ARG 33 -6.676 6.872 -0.343 201 HA ARG 33 HA ARG 33 -7.517 4.138 0.218 202 1HB ARG 33 2HB ARG 33 -8.506 6.063 -1.847 203 2HB ARG 33 1HB ARG 33 -8.922 4.358 -1.850 204 1HG ARG 33 2HG ARG 33 -9.884 4.543 0.346 205 2HG ARG 33 1HG ARG 33 -9.436 6.245 0.431 206 1HD ARG 33 2HD ARG 33 -10.913 6.732 -1.452 207 2HD ARG 33 1HD ARG 33 -11.335 5.023 -1.570 208 HE ARG 33 HE ARG 33 -12.859 5.370 0.078 209 1HH1 ARG 33 1HH1 ARG 33 -10.434 7.871 0.314 210 2HH1 ARG 33 2HH1 ARG 33 -11.207 8.667 1.643 211 1HH2 ARG 33 1HH2 ARG 33 -13.878 6.421 1.823 212 2HH2 ARG 33 2HH2 ARG 33 -13.161 7.845 2.498 213 H VAL 34 H VAL 34 -7.555 2.736 -1.786 214 HA VAL 34 HA VAL 34 -4.775 2.616 -2.722 215 HB VAL 34 HB VAL 34 -6.790 0.382 -2.554 216 1HG1 VAL 34 1HG1 VAL 34 -4.601 -0.976 -2.693 217 2HG1 VAL 34 2HG1 VAL 34 -3.909 0.498 -3.372 218 3HG1 VAL 34 3HG1 VAL 34 -5.266 -0.292 -4.176 219 1HG2 VAL 34 1HG2 VAL 34 -5.953 -0.195 -0.500 220 2HG2 VAL 34 2HG2 VAL 34 -5.830 1.562 -0.410 221 3HG2 VAL 34 3HG2 VAL 34 -4.402 0.594 -0.785 222 H VAL 35 H VAL 35 -4.212 1.833 -4.827 223 HA VAL 35 HA VAL 35 -6.373 1.768 -6.787 224 HB VAL 35 HB VAL 35 -5.223 4.082 -6.809 225 1HG1 VAL 35 1HG1 VAL 35 -3.253 4.269 -8.172 226 2HG1 VAL 35 2HG1 VAL 35 -3.147 2.515 -8.292 227 3HG1 VAL 35 3HG1 VAL 35 -2.934 3.307 -6.736 228 1HG2 VAL 35 1HG2 VAL 35 -5.660 4.307 -9.119 229 2HG2 VAL 35 2HG2 VAL 35 -6.753 3.051 -8.537 230 3HG2 VAL 35 3HG2 VAL 35 -5.293 2.608 -9.424 231 H ASP 36 H ASP 36 -2.859 1.378 -6.289 232 HA ASP 36 HA ASP 36 -2.955 -1.298 -7.295 233 1HB ASP 36 2HB ASP 36 -1.434 0.802 -8.854 234 2HB ASP 36 1HB ASP 36 -1.300 -0.935 -9.107 235 H GLU 37 H GLU 37 -0.938 -2.433 -6.940 236 HA GLU 37 HA GLU 37 1.005 -0.941 -5.319 237 1HB GLU 37 2HB GLU 37 1.187 -2.705 -3.710 238 2HB GLU 37 1HB GLU 37 -0.511 -2.275 -3.846 239 1HG GLU 37 2HG GLU 37 0.809 -4.633 -5.154 240 2HG GLU 37 1HG GLU 37 -0.171 -4.681 -3.692 241 H THR 38 H THR 38 3.003 -1.121 -6.115 242 HA THR 38 HA THR 38 3.564 -3.403 -7.892 243 HB THR 38 HB THR 38 4.941 -0.714 -7.851 244 HG1 THR 38 1HG THR 38 3.659 -0.172 -9.544 245 1HG2 THR 38 1HG2 THR 38 5.851 -1.306 -9.982 246 2HG2 THR 38 2HG2 THR 38 4.980 -2.840 -9.974 247 3HG2 THR 38 3HG2 THR 38 6.277 -2.557 -8.816 248 H ARG 39 H ARG 39 5.700 -4.290 -7.887 249 HA ARG 39 HA ARG 39 6.653 -4.969 -5.362 250 1HB ARG 39 2HB ARG 39 7.975 -5.131 -8.069 251 2HB ARG 39 1HB ARG 39 8.647 -5.854 -6.613 252 1HG ARG 39 2HG ARG 39 6.767 -7.319 -6.396 253 2HG ARG 39 1HG ARG 39 5.926 -6.505 -7.714 254 1HD ARG 39 2HD ARG 39 8.547 -7.971 -7.993 255 2HD ARG 39 1HD ARG 39 6.969 -8.658 -8.379 256 HE ARG 39 HE ARG 39 8.509 -6.954 -10.025 257 1HH1 ARG 39 1HH1 ARG 39 5.209 -7.617 -9.098 258 2HH1 ARG 39 2HH1 ARG 39 4.539 -6.975 -10.559 259 1HH2 ARG 39 1HH2 ARG 39 7.627 -6.113 -11.949 260 2HH2 ARG 39 2HH2 ARG 39 5.910 -6.124 -12.178 261 H ASN 40 H ASN 40 7.303 -2.152 -7.229 262 HA ASN 40 HA ASN 40 9.473 -1.475 -5.364 263 1HB ASN 40 2HB ASN 40 10.505 -0.098 -7.114 264 2HB ASN 40 1HB ASN 40 10.410 -1.790 -7.572 265 1HD2 ASN 40 1HD2 ASN 40 7.328 -0.555 -7.881 266 2HD2 ASN 40 2HD2 ASN 40 7.385 -0.124 -9.543 267 H THR 41 H THR 41 6.352 -0.747 -6.084 268 HA THR 41 HA THR 41 6.511 1.729 -4.629 269 HB THR 41 HB THR 41 6.967 2.528 -6.901 270 HG1 THR 41 1HG THR 41 5.766 4.191 -6.505 271 1HG2 THR 41 1HG2 THR 41 4.377 1.181 -7.574 272 2HG2 THR 41 2HG2 THR 41 5.950 0.989 -8.349 273 3HG2 THR 41 3HG2 THR 41 5.051 2.494 -8.539 274 H LEU 42 H LEU 42 4.205 2.764 -4.593 275 HA LEU 42 HA LEU 42 2.098 0.725 -4.622 276 1HB LEU 42 2HB LEU 42 3.129 0.707 -2.380 277 2HB LEU 42 1HB LEU 42 2.809 2.417 -2.215 278 HG LEU 42 HG LEU 42 1.226 1.044 -0.945 279 1HD1 LEU 42 1HD1 LEU 42 0.631 3.267 -2.167 280 2HD1 LEU 42 2HD1 LEU 42 -0.654 2.295 -1.449 281 3HD1 LEU 42 3HD1 LEU 42 -0.362 2.226 -3.186 282 1HD2 LEU 42 1HD2 LEU 42 0.414 -0.020 -3.652 283 2HD2 LEU 42 2HD2 LEU 42 -0.444 -0.315 -2.139 284 3HD2 LEU 42 3HD2 LEU 42 1.195 -0.933 -2.360 285 H ARG 43 H ARG 43 0.556 1.646 -5.854 286 HA ARG 43 HA ARG 43 0.316 4.545 -5.904 287 1HB ARG 43 2HB ARG 43 0.381 2.936 -7.948 288 2HB ARG 43 1HB ARG 43 -1.309 2.656 -7.574 289 1HG ARG 43 2HG ARG 43 -1.175 4.344 -9.257 290 2HG ARG 43 1HG ARG 43 -1.685 5.110 -7.752 291 1HD ARG 43 2HD ARG 43 0.492 5.994 -7.368 292 2HD ARG 43 1HD ARG 43 1.180 5.031 -8.674 293 HE ARG 43 HE ARG 43 0.617 6.715 -10.088 294 1HH1 ARG 43 1HH1 ARG 43 -1.509 6.907 -7.325 295 2HH1 ARG 43 2HH1 ARG 43 -2.359 8.290 -7.923 296 1HH2 ARG 43 1HH2 ARG 43 -0.495 8.540 -10.864 297 2HH2 ARG 43 2HH2 ARG 43 -1.782 9.221 -9.926 298 H ILE 44 H ILE 44 -1.580 5.641 -5.387 299 HA ILE 44 HA ILE 44 -3.523 4.115 -3.774 300 HB ILE 44 HB ILE 44 -2.170 6.738 -3.319 301 1HG1 ILE 44 2HG1 ILE 44 -2.822 4.408 -1.515 302 2HG1 ILE 44 1HG1 ILE 44 -1.270 4.712 -2.289 303 1HG2 ILE 44 1HG2 ILE 44 -4.110 6.583 -1.326 304 2HG2 ILE 44 2HG2 ILE 44 -4.968 6.346 -2.845 305 3HG2 ILE 44 3HG2 ILE 44 -3.976 7.780 -2.611 306 1HD1 ILE 44 1HD1 ILE 44 -0.782 6.490 -0.899 307 2HD1 ILE 44 2HD1 ILE 44 -1.603 5.364 0.181 308 3HD1 ILE 44 3HD1 ILE 44 -2.473 6.752 -0.471 309 H GLU 45 H GLU 45 -5.649 4.269 -4.265 310 HA GLU 45 HA GLU 45 -6.539 6.651 -5.703 311 1HB GLU 45 2HB GLU 45 -6.512 5.102 -7.475 312 2HB GLU 45 1HB GLU 45 -7.168 3.807 -6.481 313 1HG GLU 45 2HG GLU 45 -9.307 4.992 -6.382 314 2HG GLU 45 1HG GLU 45 -8.633 6.278 -7.384 315 H MET 46 H MET 46 -8.485 7.380 -5.230 316 HA MET 46 HA MET 46 -9.910 6.191 -2.955 317 1HB MET 46 2HB MET 46 -9.517 9.084 -3.735 318 2HB MET 46 1HB MET 46 -10.655 8.566 -2.507 319 1HG MET 46 2HG MET 46 -8.591 9.418 -1.546 320 2HG MET 46 1HG MET 46 -8.847 7.727 -1.136 321 1HE MET 46 1HE MET 46 -6.342 9.363 -4.420 322 2HE MET 46 2HE MET 46 -5.675 9.991 -2.917 323 3HE MET 46 3HE MET 46 -7.375 10.251 -3.304 324 H ASP 47 H ASP 47 -11.920 5.547 -3.361 325 HA ASP 47 HA ASP 47 -13.155 5.458 -5.776 326 1HB ASP 47 2HB ASP 47 -15.265 5.070 -4.594 327 2HB ASP 47 1HB ASP 47 -13.936 4.212 -3.818 328 H ASP 48 H ASP 48 -13.019 8.188 -3.655 329 HA ASP 48 HA ASP 48 -15.183 9.653 -4.700 330 1HB ASP 48 2HB ASP 48 -13.981 11.641 -3.730 331 2HB ASP 48 1HB ASP 48 -14.275 10.323 -2.599 332 H GLY 49 H GLY 49 -12.330 8.736 -6.204 333 1HA GLY 49 2HA GLY 49 -11.998 9.188 -8.517 334 2HA GLY 49 1HA GLY 49 -12.768 10.748 -8.294 335 H ARG 50 H ARG 50 -10.474 9.810 -5.923 336 HA ARG 50 HA ARG 50 -8.566 11.742 -7.065 337 1HB ARG 50 2HB ARG 50 -8.980 10.821 -4.222 338 2HB ARG 50 1HB ARG 50 -7.617 11.808 -4.728 339 1HG ARG 50 2HG ARG 50 -9.153 13.562 -5.453 340 2HG ARG 50 1HG ARG 50 -10.523 12.572 -4.949 341 1HD ARG 50 2HD ARG 50 -8.340 13.660 -3.175 342 2HD ARG 50 1HD ARG 50 -10.010 14.222 -3.246 343 HE ARG 50 HE ARG 50 -10.012 11.487 -2.649 344 1HH1 ARG 50 1HH1 ARG 50 -9.099 14.524 -1.192 345 2HH1 ARG 50 2HH1 ARG 50 -9.359 13.969 0.426 346 1HH2 ARG 50 1HH2 ARG 50 -10.357 10.756 -0.520 347 2HH2 ARG 50 2HH2 ARG 50 -10.073 11.830 0.809 348 H GLU 51 H GLU 51 -6.278 11.269 -6.956 349 HA GLU 51 HA GLU 51 -5.520 8.517 -6.421 350 1HB GLU 51 2HB GLU 51 -5.236 9.738 -9.168 351 2HB GLU 51 1HB GLU 51 -4.525 8.211 -8.665 352 1HG GLU 51 2HG GLU 51 -6.759 7.300 -8.276 353 2HG GLU 51 1HG GLU 51 -7.468 8.831 -8.786 354 H ILE 52 H ILE 52 -3.502 8.340 -5.705 355 HA ILE 52 HA ILE 52 -1.461 10.290 -6.393 356 HB ILE 52 HB ILE 52 -2.517 11.344 -4.456 357 1HG1 ILE 52 2HG1 ILE 52 0.170 10.115 -3.799 358 2HG1 ILE 52 1HG1 ILE 52 -0.091 11.579 -4.745 359 1HG2 ILE 52 1HG2 ILE 52 -2.282 10.163 -2.222 360 2HG2 ILE 52 2HG2 ILE 52 -2.016 8.688 -3.152 361 3HG2 ILE 52 3HG2 ILE 52 -3.537 9.567 -3.309 362 1HD1 ILE 52 1HD1 ILE 52 -0.799 11.210 -1.832 363 2HD1 ILE 52 2HD1 ILE 52 -1.054 12.676 -2.779 364 3HD1 ILE 52 3HD1 ILE 52 0.586 12.109 -2.459 365 H THR 53 H THR 53 0.691 9.547 -5.891 366 HA THR 53 HA THR 53 0.794 6.636 -5.516 367 HB THR 53 HB THR 53 1.711 7.526 -7.612 368 HG1 THR 53 1HG THR 53 2.748 5.712 -7.064 369 1HG2 THR 53 1HG2 THR 53 2.662 9.624 -6.215 370 2HG2 THR 53 2HG2 THR 53 3.239 9.142 -7.809 371 3HG2 THR 53 3HG2 THR 53 4.115 8.637 -6.364 372 H VAL 54 H VAL 54 2.458 5.673 -4.235 373 HA VAL 54 HA VAL 54 3.984 7.361 -2.437 374 HB VAL 54 HB VAL 54 1.981 5.393 -1.319 375 1HG1 VAL 54 1HG1 VAL 54 3.921 7.251 0.060 376 2HG1 VAL 54 2HG1 VAL 54 4.019 5.491 0.004 377 3HG1 VAL 54 3HG1 VAL 54 2.694 6.275 0.867 378 1HG2 VAL 54 1HG2 VAL 54 0.833 7.365 -2.098 379 2HG2 VAL 54 2HG2 VAL 54 2.008 8.411 -1.299 380 3HG2 VAL 54 3HG2 VAL 54 0.918 7.412 -0.336 381 HA PRO 55 HA PRO 55 6.693 3.862 -3.083 382 1HB PRO 55 2HB PRO 55 8.432 4.949 -1.013 383 2HB PRO 55 1HB PRO 55 8.702 4.852 -2.754 384 1HG PRO 55 2HG PRO 55 8.299 7.197 -1.454 385 2HG PRO 55 1HG PRO 55 7.816 6.932 -3.140 386 1HD PRO 55 2HD PRO 55 6.143 6.874 -0.655 387 2HD PRO 55 1HD PRO 55 5.777 7.575 -2.246 388 H LYS 56 H LYS 56 6.256 1.900 -2.278 389 HA LYS 56 HA LYS 56 5.839 1.604 0.613 390 1HB LYS 56 2HB LYS 56 4.831 -0.560 0.087 391 2HB LYS 56 1HB LYS 56 4.055 0.741 -0.800 392 1HG LYS 56 2HG LYS 56 5.194 0.130 -2.815 393 2HG LYS 56 1HG LYS 56 6.180 -1.050 -1.954 394 1HD LYS 56 2HD LYS 56 3.176 -1.188 -2.217 395 2HD LYS 56 1HD LYS 56 4.315 -2.069 -3.236 396 1HE LYS 56 2HE LYS 56 5.195 -3.211 -1.261 397 2HE LYS 56 1HE LYS 56 4.064 -2.326 -0.241 398 1HZ LYS 56 1HZ LYS 56 2.825 -4.162 -0.554 399 2HZ LYS 56 2HZ LYS 56 3.595 -4.590 -1.998 400 3HZ LYS 56 3HZ LYS 56 2.392 -3.401 -2.002 401 H GLY 57 H GLY 57 8.361 1.293 -1.511 402 1HA GLY 57 2HA GLY 57 9.509 -1.166 -1.103 403 2HA GLY 57 1HA GLY 57 10.434 0.318 -1.265 404 H ILE 58 H ILE 58 9.055 1.299 1.269 405 HA ILE 58 HA ILE 58 10.174 -0.440 3.276 406 HB ILE 58 HB ILE 58 11.037 2.448 3.142 407 1HG1 ILE 58 2HG1 ILE 58 13.353 1.368 2.798 408 2HG1 ILE 58 1HG1 ILE 58 12.466 -0.078 2.324 409 1HG2 ILE 58 1HG2 ILE 58 10.773 1.103 5.368 410 2HG2 ILE 58 2HG2 ILE 58 12.180 2.131 5.104 411 3HG2 ILE 58 3HG2 ILE 58 12.306 0.386 4.878 412 1HD1 ILE 58 1HD1 ILE 58 13.109 2.231 0.785 413 2HD1 ILE 58 2HD1 ILE 58 11.356 2.056 0.873 414 3HD1 ILE 58 3HD1 ILE 58 12.347 0.726 0.274 415 H ALA 59 H ALA 59 7.586 -0.266 3.111 416 HA ALA 59 HA ALA 59 6.855 1.521 5.293 417 1HB ALA 59 1HB ALA 59 5.157 2.651 4.205 418 2HB ALA 59 2HB ALA 59 5.058 1.459 2.910 419 3HB ALA 59 3HB ALA 59 6.425 2.573 2.980 420 H VAL 60 H VAL 60 5.341 0.762 6.671 421 HA VAL 60 HA VAL 60 4.463 -1.969 6.330 422 HB VAL 60 HB VAL 60 5.164 -1.216 8.544 423 1HG1 VAL 60 1HG1 VAL 60 2.834 0.685 8.343 424 2HG1 VAL 60 2HG1 VAL 60 4.544 1.106 8.442 425 3HG1 VAL 60 3HG1 VAL 60 3.739 0.357 9.820 426 1HG2 VAL 60 1HG2 VAL 60 3.326 -2.102 9.834 427 2HG2 VAL 60 2HG2 VAL 60 3.471 -3.006 8.326 428 3HG2 VAL 60 3HG2 VAL 60 2.204 -1.793 8.509 429 H PHE 61 H PHE 61 2.412 -2.665 5.874 430 HA PHE 61 HA PHE 61 0.542 -0.597 4.975 431 1HB PHE 61 2HB PHE 61 0.963 -3.467 4.223 432 2HB PHE 61 1HB PHE 61 -0.565 -2.671 3.865 433 HD1 PHE 61 1HD PHE 61 2.784 -1.088 3.748 434 HD2 PHE 61 2HD PHE 61 -0.479 -2.676 1.525 435 HE1 PHE 61 1HE PHE 61 3.742 -0.158 1.682 436 HE2 PHE 61 2HE PHE 61 0.472 -1.749 -0.543 437 HZ PHE 61 HZ PHE 61 2.583 -0.489 -0.465 438 H HIS 62 H HIS 62 -1.440 -0.350 5.748 439 HA HIS 62 HA HIS 62 -2.632 -2.358 7.502 440 1HB HIS 62 2HB HIS 62 -2.271 0.543 8.302 441 2HB HIS 62 1HB HIS 62 -3.220 -0.643 9.190 442 HD1 HIS 62 1HD HIS 62 -1.561 -2.930 9.713 443 HD2 HIS 62 2HD HIS 62 0.134 0.855 9.462 444 HE1 HIS 62 1HE HIS 62 0.632 -3.093 10.933 445 HE2 HIS 62 2HE HIS 62 1.673 -0.808 10.709 446 H PHE 63 H PHE 63 -4.270 -2.760 6.066 447 HA PHE 63 HA PHE 63 -5.760 -0.498 4.979 448 1HB PHE 63 2HB PHE 63 -5.776 -3.436 4.307 449 2HB PHE 63 1HB PHE 63 -6.872 -2.269 3.579 450 HD1 PHE 63 1HD PHE 63 -3.240 -1.966 4.366 451 HD2 PHE 63 2HD PHE 63 -6.251 -2.136 1.367 452 HE1 PHE 63 1HE PHE 63 -1.561 -1.441 2.660 453 HE2 PHE 63 2HE PHE 63 -4.571 -1.613 -0.351 454 HZ PHE 63 HZ PHE 63 -2.220 -1.266 0.293 455 H ARG 64 H ARG 64 -8.085 -0.569 4.897 456 HA ARG 64 HA ARG 64 -9.382 -2.084 7.041 457 1HB ARG 64 2HB ARG 64 -9.534 0.916 6.677 458 2HB ARG 64 1HB ARG 64 -10.615 -0.004 7.712 459 1HG ARG 64 2HG ARG 64 -7.626 0.025 8.046 460 2HG ARG 64 1HG ARG 64 -8.719 1.133 8.880 461 1HD ARG 64 2HD ARG 64 -8.779 -1.879 9.055 462 2HD ARG 64 1HD ARG 64 -8.138 -0.787 10.282 463 HE ARG 64 HE ARG 64 -10.800 -0.083 9.720 464 1HH1 ARG 64 1HH1 ARG 64 -8.963 -2.621 11.253 465 2HH1 ARG 64 2HH1 ARG 64 -10.236 -3.059 12.341 466 1HH2 ARG 64 1HH2 ARG 64 -12.476 -0.654 11.150 467 2HH2 ARG 64 2HH2 ARG 64 -12.233 -1.941 12.283 468 H THR 65 H THR 65 -11.389 -2.792 6.502 469 HA THR 65 HA THR 65 -12.482 -1.855 3.933 470 HB THR 65 HB THR 65 -12.829 -4.540 5.275 471 HG1 THR 65 1HG THR 65 -11.349 -3.759 2.987 472 1HG2 THR 65 1HG2 THR 65 -13.597 -5.056 2.816 473 2HG2 THR 65 2HG2 THR 65 -14.059 -3.354 2.852 474 3HG2 THR 65 3HG2 THR 65 -14.733 -4.476 4.035 475 HA PRO 66 HA PRO 66 -15.840 0.020 6.192 476 1HB PRO 66 2HB PRO 66 -17.298 -0.748 3.698 477 2HB PRO 66 1HB PRO 66 -17.275 0.797 4.557 478 1HG PRO 66 2HG PRO 66 -15.866 0.472 2.325 479 2HG PRO 66 1HG PRO 66 -15.211 1.402 3.687 480 1HD PRO 66 2HD PRO 66 -14.510 -1.335 2.750 481 2HD PRO 66 1HD PRO 66 -13.485 -0.104 3.512 482 H GLN 67 H GLN 67 -16.073 -3.106 4.601 483 HA GLN 67 HA GLN 67 -18.524 -3.938 5.704 484 1HB GLN 67 2HB GLN 67 -16.151 -5.608 4.856 485 2HB GLN 67 1HB GLN 67 -17.771 -6.221 5.154 486 1HG GLN 67 2HG GLN 67 -16.999 -4.246 3.018 487 2HG GLN 67 1HG GLN 67 -17.326 -5.960 2.775 488 1HE2 GLN 67 1HE2 GLN 67 -19.257 -6.368 2.006 489 2HE2 GLN 67 2HE2 GLN 67 -20.689 -5.440 2.278 490 H GLY 68 H GLY 68 -15.490 -3.441 7.162 491 1HA GLY 68 2HA GLY 68 -15.309 -3.443 9.550 492 2HA GLY 68 1HA GLY 68 -16.457 -4.774 9.597 493 H GLU 69 H GLU 69 -13.590 -4.437 7.548 494 HA GLU 69 HA GLU 69 -12.398 -6.719 8.986 495 1HB GLU 69 2HB GLU 69 -12.356 -6.256 5.998 496 2HB GLU 69 1HB GLU 69 -11.544 -7.565 6.843 497 1HG GLU 69 2HG GLU 69 -14.517 -7.116 6.724 498 2HG GLU 69 1HG GLU 69 -13.608 -8.320 5.811 499 H LEU 70 H LEU 70 -10.110 -6.829 9.001 500 HA LEU 70 HA LEU 70 -8.752 -4.314 8.285 501 1HB LEU 70 2HB LEU 70 -9.208 -4.532 10.739 502 2HB LEU 70 1HB LEU 70 -8.216 -5.976 10.750 503 HG LEU 70 HG LEU 70 -7.224 -3.212 10.030 504 1HD1 LEU 70 1HD1 LEU 70 -6.438 -2.958 12.176 505 2HD1 LEU 70 2HD1 LEU 70 -6.428 -4.692 12.496 506 3HD1 LEU 70 3HD1 LEU 70 -7.954 -3.807 12.477 507 1HD2 LEU 70 1HD2 LEU 70 -5.014 -4.565 10.620 508 2HD2 LEU 70 2HD2 LEU 70 -5.687 -4.544 8.990 509 3HD2 LEU 70 3HD2 LEU 70 -5.994 -5.918 10.053 510 H VAL 71 H VAL 71 -7.031 -4.585 7.009 511 HA VAL 71 HA VAL 71 -5.800 -7.267 6.904 512 HB VAL 71 HB VAL 71 -5.985 -5.262 4.650 513 1HG1 VAL 71 1HG1 VAL 71 -5.342 -7.561 3.451 514 2HG1 VAL 71 2HG1 VAL 71 -4.552 -7.826 5.005 515 3HG1 VAL 71 3HG1 VAL 71 -4.135 -6.415 4.031 516 1HG2 VAL 71 1HG2 VAL 71 -7.658 -7.605 5.411 517 2HG2 VAL 71 2HG2 VAL 71 -7.386 -7.274 3.699 518 3HG2 VAL 71 3HG2 VAL 71 -8.136 -6.051 4.726 519 H GLU 72 H GLU 72 -3.653 -7.403 7.242 520 HA GLU 72 HA GLU 72 -2.127 -4.885 7.312 521 1HB GLU 72 2HB GLU 72 -0.866 -5.771 9.225 522 2HB GLU 72 1HB GLU 72 -2.578 -5.618 9.587 523 1HG GLU 72 2HG GLU 72 -2.874 -8.012 9.221 524 2HG GLU 72 1HG GLU 72 -1.156 -8.166 8.852 525 H ILE 73 H ILE 73 -0.148 -4.870 6.416 526 HA ILE 73 HA ILE 73 1.149 -7.368 5.660 527 HB ILE 73 HB ILE 73 0.509 -5.223 3.623 528 1HG1 ILE 73 2HG1 ILE 73 -0.465 -8.080 3.860 529 2HG1 ILE 73 1HG1 ILE 73 -1.430 -6.634 4.152 530 1HG2 ILE 73 1HG2 ILE 73 2.095 -7.776 3.410 531 2HG2 ILE 73 2HG2 ILE 73 2.676 -6.128 3.171 532 3HG2 ILE 73 3HG2 ILE 73 1.541 -6.838 2.023 533 1HD1 ILE 73 1HD1 ILE 73 -0.209 -7.436 1.517 534 2HD1 ILE 73 2HD1 ILE 73 -1.177 -5.990 1.809 535 3HD1 ILE 73 3HD1 ILE 73 -1.908 -7.588 1.968 536 H ASP 74 H ASP 74 3.415 -7.030 5.045 537 HA ASP 74 HA ASP 74 4.458 -4.578 6.288 538 1HB ASP 74 2HB ASP 74 5.824 -7.242 5.862 539 2HB ASP 74 1HB ASP 74 6.536 -5.843 6.660 540 H GLY 75 H GLY 75 4.655 -3.133 4.664 541 1HA GLY 75 2HA GLY 75 5.782 -3.891 2.100 542 2HA GLY 75 1HA GLY 75 5.219 -2.293 2.560 543 H ARG 76 H ARG 76 6.994 -2.936 5.104 544 HA ARG 76 HA ARG 76 9.146 -1.331 4.287 545 1HB ARG 76 2HB ARG 76 8.372 -1.285 6.571 546 2HB ARG 76 1HB ARG 76 8.751 -2.989 6.768 547 1HG ARG 76 2HG ARG 76 10.904 -1.023 6.097 548 2HG ARG 76 1HG ARG 76 10.340 -1.214 7.757 549 1HD ARG 76 2HD ARG 76 10.808 -3.669 7.537 550 2HD ARG 76 1HD ARG 76 11.562 -3.325 5.983 551 HE ARG 76 HE ARG 76 12.722 -2.964 8.538 552 1HH1 ARG 76 1HH1 ARG 76 12.608 -1.570 5.340 553 2HH1 ARG 76 2HH1 ARG 76 14.148 -0.794 5.487 554 1HH2 ARG 76 1HH2 ARG 76 14.751 -1.950 8.729 555 2HH2 ARG 76 2HH2 ARG 76 15.366 -1.011 7.410 556 H ALA 77 H ALA 77 9.164 -4.705 5.338 557 HA ALA 77 HA ALA 77 11.749 -5.036 4.062 558 1HB ALA 77 1HB ALA 77 12.297 -6.553 5.628 559 2HB ALA 77 2HB ALA 77 10.672 -7.232 5.688 560 3HB ALA 77 3HB ALA 77 11.028 -5.724 6.530 561 H LEU 78 H LEU 78 8.501 -6.294 3.876 562 HA LEU 78 HA LEU 78 9.033 -8.611 2.396 563 1HB LEU 78 2HB LEU 78 6.854 -8.025 3.476 564 2HB LEU 78 1HB LEU 78 6.567 -6.909 2.154 565 HG LEU 78 HG LEU 78 6.632 -8.785 0.557 566 1HD1 LEU 78 1HD1 LEU 78 6.265 -10.905 2.479 567 2HD1 LEU 78 2HD1 LEU 78 7.852 -10.159 2.650 568 3HD1 LEU 78 3HD1 LEU 78 7.350 -10.817 1.093 569 1HD2 LEU 78 1HD2 LEU 78 4.503 -9.880 1.356 570 2HD2 LEU 78 2HD2 LEU 78 4.477 -8.117 1.275 571 3HD2 LEU 78 3HD2 LEU 78 4.666 -8.925 2.831 572 H VAL 79 H VAL 79 9.363 -5.368 1.414 573 HA VAL 79 HA VAL 79 8.592 -5.326 -1.218 574 HB VAL 79 HB VAL 79 9.559 -3.382 -0.077 575 1HG1 VAL 79 1HG1 VAL 79 11.776 -3.159 0.520 576 2HG1 VAL 79 2HG1 VAL 79 12.313 -4.413 -0.597 577 3HG1 VAL 79 3HG1 VAL 79 11.472 -4.858 0.887 578 1HG2 VAL 79 1HG2 VAL 79 9.577 -2.787 -2.248 579 2HG2 VAL 79 2HG2 VAL 79 10.380 -4.273 -2.756 580 3HG2 VAL 79 3HG2 VAL 79 11.326 -2.942 -2.087 581 H ALA 80 H ALA 80 8.836 -7.086 -2.479 582 HA ALA 80 HA ALA 80 11.547 -8.187 -2.808 583 1HB ALA 80 1HB ALA 80 10.661 -10.258 -3.198 584 2HB ALA 80 2HB ALA 80 9.155 -9.613 -3.855 585 3HB ALA 80 3HB ALA 80 9.434 -9.603 -2.114 586 H ARG 81 H ARG 81 12.578 -7.884 -4.676 587 HA ARG 81 HA ARG 81 11.046 -6.789 -6.932 588 1HB ARG 81 2HB ARG 81 13.995 -6.589 -6.292 589 2HB ARG 81 1HB ARG 81 13.243 -5.946 -7.747 590 1HG ARG 81 2HG ARG 81 11.832 -4.493 -6.336 591 2HG ARG 81 1HG ARG 81 12.687 -5.093 -4.913 592 1HD ARG 81 2HD ARG 81 14.791 -4.232 -5.814 593 2HD ARG 81 1HD ARG 81 13.944 -3.644 -7.242 594 HE ARG 81 HE ARG 81 12.727 -2.546 -4.976 595 1HH1 ARG 81 1HH1 ARG 81 15.753 -2.368 -6.705 596 2HH1 ARG 81 2HH1 ARG 81 16.074 -0.735 -6.227 597 1HH2 ARG 81 1HH2 ARG 81 13.149 -0.397 -4.346 598 2HH2 ARG 81 2HH2 ARG 81 14.597 0.383 -4.888 599 HA PRO 82 HA PRO 82 11.632 -10.287 -9.521 600 1HB PRO 82 2HB PRO 82 12.587 -9.081 -11.834 601 2HB PRO 82 1HB PRO 82 10.886 -9.232 -11.390 602 1HG PRO 82 2HG PRO 82 12.734 -6.910 -11.060 603 2HG PRO 82 1HG PRO 82 11.021 -6.926 -11.520 604 1HD PRO 82 2HD PRO 82 11.788 -6.253 -9.046 605 2HD PRO 82 1HD PRO 82 10.308 -7.194 -9.325 606 H GLU 83 H GLU 83 13.441 -10.786 -11.508 607 HA GLU 83 HA GLU 83 15.670 -11.728 -10.145 608 1HB GLU 83 2HB GLU 83 15.401 -11.143 -13.097 609 2HB GLU 83 1HB GLU 83 16.642 -12.155 -12.370 610 1HG GLU 83 2HG GLU 83 14.924 -13.702 -11.586 611 2HG GLU 83 1HG GLU 83 13.679 -12.686 -12.312 612 H GLU 84 H GLU 84 15.038 -8.571 -11.305 613 HA GLU 84 HA GLU 84 17.581 -7.607 -11.879 614 1HB GLU 84 2HB GLU 84 15.295 -6.137 -10.555 615 2HB GLU 84 1HB GLU 84 16.683 -5.385 -11.331 616 1HG GLU 84 2HG GLU 84 14.615 -7.095 -12.693 617 2HG GLU 84 1HG GLU 84 14.718 -5.337 -12.762 618 H ARG 85 H ARG 85 16.308 -8.650 -8.882 619 HA ARG 85 HA ARG 85 17.300 -8.895 -6.845 620 1HB ARG 85 2HB ARG 85 19.649 -7.379 -7.999 621 2HB ARG 85 1HB ARG 85 19.630 -8.283 -6.494 622 1HG ARG 85 2HG ARG 85 19.277 -10.355 -7.720 623 2HG ARG 85 1HG ARG 85 19.258 -9.459 -9.241 624 1HD ARG 85 2HD ARG 85 21.574 -9.638 -7.316 625 2HD ARG 85 1HD ARG 85 21.433 -10.502 -8.846 626 HE ARG 85 HE ARG 85 21.160 -7.765 -9.352 627 1HH1 ARG 85 1HH1 ARG 85 23.593 -10.030 -8.291 628 2HH1 ARG 85 2HH1 ARG 85 24.910 -9.106 -8.932 629 1HH2 ARG 85 1HH2 ARG 85 22.890 -6.552 -10.197 630 2HH2 ARG 85 2HH2 ARG 85 24.511 -7.132 -10.014 631 H ILE 86 H ILE 86 17.574 -7.684 -4.909 632 HA ILE 86 HA ILE 86 16.394 -5.031 -5.108 633 HB ILE 86 HB ILE 86 16.963 -6.730 -2.673 634 1HG1 ILE 86 2HG1 ILE 86 14.470 -6.977 -2.633 635 2HG1 ILE 86 1HG1 ILE 86 14.408 -6.184 -4.202 636 1HG2 ILE 86 1HG2 ILE 86 15.059 -4.927 -1.930 637 2HG2 ILE 86 2HG2 ILE 86 16.081 -3.956 -2.989 638 3HG2 ILE 86 3HG2 ILE 86 16.782 -4.774 -1.593 639 1HD1 ILE 86 1HD1 ILE 86 16.122 -8.592 -3.879 640 2HD1 ILE 86 2HD1 ILE 86 15.264 -7.994 -5.301 641 3HD1 ILE 86 3HD1 ILE 86 14.373 -8.788 -4.002 Start of MODEL 6 1 H ARG 9 H ARG 9 -12.502 -0.463 -7.640 2 HA ARG 9 HA ARG 9 -13.566 1.992 -8.711 3 1HB ARG 9 2HB ARG 9 -14.259 2.470 -6.435 4 2HB ARG 9 1HB ARG 9 -14.676 0.815 -6.851 5 1HG ARG 9 2HG ARG 9 -12.732 0.008 -5.615 6 2HG ARG 9 1HG ARG 9 -12.305 1.670 -5.204 7 1HD ARG 9 2HD ARG 9 -14.474 1.911 -4.053 8 2HD ARG 9 1HD ARG 9 -14.830 0.222 -4.414 9 HE ARG 9 HE ARG 9 -12.375 0.347 -3.075 10 1HH1 ARG 9 1HH1 ARG 9 -15.767 0.898 -2.465 11 2HH1 ARG 9 2HH1 ARG 9 -15.654 0.519 -0.780 12 1HH2 ARG 9 1HH2 ARG 9 -12.224 -0.148 -0.854 13 2HH2 ARG 9 2HH2 ARG 9 -13.644 -0.075 0.135 14 H HIS 10 H HIS 10 -12.987 3.871 -6.820 15 HA HIS 10 HA HIS 10 -10.348 4.669 -7.611 16 1HB HIS 10 2HB HIS 10 -12.343 5.969 -5.755 17 2HB HIS 10 1HB HIS 10 -10.852 6.722 -6.314 18 HD1 HIS 10 1HD HIS 10 -10.789 6.553 -9.188 19 HD2 HIS 10 2HD HIS 10 -14.423 6.873 -7.197 20 HE1 HIS 10 1HE HIS 10 -12.414 7.430 -10.894 21 HE2 HIS 10 2HE HIS 10 -14.583 7.707 -9.641 22 H GLU 11 H GLU 11 -11.896 4.008 -4.459 23 HA GLU 11 HA GLU 11 -9.745 4.433 -2.801 24 1HB GLU 11 2HB GLU 11 -11.788 2.224 -2.510 25 2HB GLU 11 1HB GLU 11 -10.805 2.898 -1.219 26 1HG GLU 11 2HG GLU 11 -11.911 5.062 -1.516 27 2HG GLU 11 1HG GLU 11 -12.908 4.369 -2.793 28 H LEU 12 H LEU 12 -8.650 2.433 -1.495 29 HA LEU 12 HA LEU 12 -6.818 1.253 -3.223 30 1HB LEU 12 2HB LEU 12 -5.988 1.106 -1.091 31 2HB LEU 12 1HB LEU 12 -7.552 0.834 -0.385 32 HG LEU 12 HG LEU 12 -7.434 -1.539 -1.064 33 1HD1 LEU 12 1HD1 LEU 12 -5.824 -1.076 -2.995 34 2HD1 LEU 12 2HD1 LEU 12 -5.550 -2.525 -2.039 35 3HD1 LEU 12 3HD1 LEU 12 -4.557 -1.094 -1.776 36 1HD2 LEU 12 1HD2 LEU 12 -6.250 -2.137 0.773 37 2HD2 LEU 12 2HD2 LEU 12 -6.333 -0.402 1.076 38 3HD2 LEU 12 3HD2 LEU 12 -4.884 -1.106 0.359 39 H ILE 13 H ILE 13 -6.751 -0.602 -4.395 40 HA ILE 13 HA ILE 13 -8.817 -1.416 -5.706 41 HB ILE 13 HB ILE 13 -6.529 -2.385 -5.931 42 1HG1 ILE 13 2HG1 ILE 13 -8.593 -4.580 -5.937 43 2HG1 ILE 13 1HG1 ILE 13 -8.626 -3.262 -7.106 44 1HG2 ILE 13 1HG2 ILE 13 -6.824 -3.218 -3.378 45 2HG2 ILE 13 2HG2 ILE 13 -5.643 -3.878 -4.511 46 3HG2 ILE 13 3HG2 ILE 13 -7.178 -4.706 -4.255 47 1HD1 ILE 13 1HD1 ILE 13 -6.285 -3.895 -7.739 48 2HD1 ILE 13 2HD1 ILE 13 -7.526 -5.089 -8.131 49 3HD1 ILE 13 3HD1 ILE 13 -6.480 -5.331 -6.730 50 H GLY 14 H GLY 14 -10.804 -1.410 -4.760 51 1HA GLY 14 2HA GLY 14 -12.615 -2.163 -3.580 52 2HA GLY 14 1HA GLY 14 -11.767 -3.688 -3.411 53 H LEU 15 H LEU 15 -9.514 -1.977 -2.001 54 HA LEU 15 HA LEU 15 -10.821 -1.935 0.630 55 1HB LEU 15 2HB LEU 15 -8.035 -2.196 0.972 56 2HB LEU 15 1HB LEU 15 -9.290 -3.347 1.362 57 HG LEU 15 HG LEU 15 -8.055 -3.189 -1.379 58 1HD1 LEU 15 1HD1 LEU 15 -6.998 -4.345 1.097 59 2HD1 LEU 15 2HD1 LEU 15 -6.173 -3.880 -0.391 60 3HD1 LEU 15 3HD1 LEU 15 -7.012 -5.429 -0.294 61 1HD2 LEU 15 1HD2 LEU 15 -9.122 -5.191 -1.813 62 2HD2 LEU 15 2HD2 LEU 15 -10.321 -4.327 -0.852 63 3HD2 LEU 15 3HD2 LEU 15 -9.323 -5.572 -0.103 64 H SER 16 H SER 16 -9.470 -0.609 2.261 65 HA SER 16 HA SER 16 -8.572 1.924 0.999 66 1HB SER 16 2HB SER 16 -10.010 1.581 3.673 67 2HB SER 16 1HB SER 16 -9.410 3.107 3.021 68 HG SER 16 HG SER 16 -11.397 1.454 1.841 69 H VAL 17 H VAL 17 -6.798 3.053 2.397 70 HA VAL 17 HA VAL 17 -5.331 0.970 3.896 71 HB VAL 17 HB VAL 17 -4.049 3.105 2.204 72 1HG1 VAL 17 1HG1 VAL 17 -2.588 2.360 3.933 73 2HG1 VAL 17 2HG1 VAL 17 -2.064 1.613 2.425 74 3HG1 VAL 17 3HG1 VAL 17 -2.972 0.672 3.609 75 1HG2 VAL 17 1HG2 VAL 17 -4.233 0.206 1.482 76 2HG2 VAL 17 2HG2 VAL 17 -3.759 1.565 0.467 77 3HG2 VAL 17 3HG2 VAL 17 -5.443 1.373 0.953 78 H ARG 18 H ARG 18 -3.797 1.650 5.437 79 HA ARG 18 HA ARG 18 -3.976 4.381 6.450 80 1HB ARG 18 2HB ARG 18 -4.527 1.938 8.149 81 2HB ARG 18 1HB ARG 18 -4.332 3.572 8.765 82 1HG ARG 18 2HG ARG 18 -6.302 4.279 7.490 83 2HG ARG 18 1HG ARG 18 -6.505 2.627 6.905 84 1HD ARG 18 2HD ARG 18 -6.805 1.847 9.201 85 2HD ARG 18 1HD ARG 18 -6.585 3.493 9.794 86 HE ARG 18 HE ARG 18 -8.674 3.490 7.930 87 1HH1 ARG 18 1HH1 ARG 18 -7.965 2.275 11.123 88 2HH1 ARG 18 2HH1 ARG 18 -9.616 2.316 11.642 89 1HH2 ARG 18 1HH2 ARG 18 -10.846 3.547 8.609 90 2HH2 ARG 18 2HH2 ARG 18 -11.253 3.038 10.215 91 H ILE 19 H ILE 19 -1.859 4.840 6.090 92 HA ILE 19 HA ILE 19 0.259 2.991 6.483 93 HB ILE 19 HB ILE 19 0.240 5.967 6.020 94 1HG1 ILE 19 2HG1 ILE 19 1.116 5.366 3.824 95 2HG1 ILE 19 1HG1 ILE 19 1.167 3.666 4.284 96 1HG2 ILE 19 1HG2 ILE 19 2.624 4.154 6.347 97 2HG2 ILE 19 2HG2 ILE 19 2.207 5.563 7.323 98 3HG2 ILE 19 3HG2 ILE 19 2.695 5.768 5.641 99 1HD1 ILE 19 1HD1 ILE 19 -1.378 5.275 4.174 100 2HD1 ILE 19 2HD1 ILE 19 -1.211 3.530 4.334 101 3HD1 ILE 19 3HD1 ILE 19 -0.765 4.320 2.823 102 H ALA 20 H ALA 20 1.739 2.774 8.070 103 HA ALA 20 HA ALA 20 1.222 4.217 10.578 104 1HB ALA 20 1HB ALA 20 0.977 1.561 10.261 105 2HB ALA 20 2HB ALA 20 1.457 2.316 11.781 106 3HB ALA 20 3HB ALA 20 2.683 1.658 10.698 107 H ARG 21 H ARG 21 3.635 2.986 8.385 108 HA ARG 21 HA ARG 21 5.504 5.001 9.203 109 1HB ARG 21 2HB ARG 21 6.310 2.099 9.430 110 2HB ARG 21 1HB ARG 21 7.345 3.489 9.705 111 1HG ARG 21 2HG ARG 21 5.983 4.132 11.627 112 2HG ARG 21 1HG ARG 21 4.939 2.735 11.351 113 1HD ARG 21 2HD ARG 21 6.861 1.246 11.689 114 2HD ARG 21 1HD ARG 21 7.886 2.648 11.992 115 HE ARG 21 HE ARG 21 5.724 2.749 13.760 116 1HH1 ARG 21 1HH1 ARG 21 8.534 0.774 13.136 117 2HH1 ARG 21 2HH1 ARG 21 8.706 0.276 14.786 118 1HH2 ARG 21 1HH2 ARG 21 5.948 2.094 15.931 119 2HH2 ARG 21 2HH2 ARG 21 7.238 1.025 16.372 120 H SER 22 H SER 22 6.737 5.645 7.506 121 HA SER 22 HA SER 22 6.994 3.852 5.206 122 1HB SER 22 2HB SER 22 6.012 6.710 5.031 123 2HB SER 22 1HB SER 22 6.372 5.665 3.657 124 HG SER 22 HG SER 22 4.754 4.202 4.709 125 H VAL 23 H VAL 23 8.578 4.663 3.597 126 HA VAL 23 HA VAL 23 10.964 5.518 4.946 127 HB VAL 23 HB VAL 23 11.065 3.819 3.181 128 1HG1 VAL 23 1HG1 VAL 23 10.725 4.376 0.851 129 2HG1 VAL 23 2HG1 VAL 23 10.350 6.046 1.272 130 3HG1 VAL 23 3HG1 VAL 23 9.262 4.748 1.763 131 1HG2 VAL 23 1HG2 VAL 23 12.540 6.347 2.437 132 2HG2 VAL 23 2HG2 VAL 23 12.988 4.707 1.972 133 3HG2 VAL 23 3HG2 VAL 23 13.045 5.189 3.668 134 H HIS 24 H HIS 24 8.817 6.888 2.478 135 HA HIS 24 HA HIS 24 10.337 9.363 2.441 136 1HB HIS 24 2HB HIS 24 9.390 8.361 0.351 137 2HB HIS 24 1HB HIS 24 7.780 8.690 0.974 138 HD1 HIS 24 1HD HIS 24 10.897 10.863 0.677 139 HD2 HIS 24 2HD HIS 24 6.863 10.867 -0.316 140 HE1 HIS 24 1HE HIS 24 10.479 13.082 -0.430 141 HE2 HIS 24 2HE HIS 24 8.054 13.022 -1.108 142 H ARG 25 H ARG 25 9.724 11.254 3.358 143 HA ARG 25 HA ARG 25 7.981 11.180 5.559 144 1HB ARG 25 2HB ARG 25 8.434 13.590 5.750 145 2HB ARG 25 1HB ARG 25 9.901 12.648 5.520 146 1HG ARG 25 2HG ARG 25 9.880 13.248 3.131 147 2HG ARG 25 1HG ARG 25 8.455 14.251 3.420 148 1HD ARG 25 2HD ARG 25 11.167 14.609 4.695 149 2HD ARG 25 1HD ARG 25 10.498 15.593 3.394 150 HE ARG 25 HE ARG 25 8.710 15.646 5.543 151 1HH1 ARG 25 1HH1 ARG 25 11.925 16.747 4.750 152 2HH1 ARG 25 2HH1 ARG 25 11.860 18.107 5.821 153 1HH2 ARG 25 1HH2 ARG 25 8.622 17.436 6.952 154 2HH2 ARG 25 2HH2 ARG 25 9.985 18.497 7.070 155 H ASP 26 H ASP 26 7.567 12.553 2.350 156 HA ASP 26 HA ASP 26 5.197 13.939 2.803 157 1HB ASP 26 2HB ASP 26 6.040 12.566 0.249 158 2HB ASP 26 1HB ASP 26 4.822 13.826 0.385 159 H ILE 27 H ILE 27 5.708 10.558 2.661 160 HA ILE 27 HA ILE 27 2.836 10.091 2.405 161 HB ILE 27 HB ILE 27 3.360 7.776 1.830 162 1HG1 ILE 27 2HG1 ILE 27 6.241 8.686 2.030 163 2HG1 ILE 27 1HG1 ILE 27 5.440 7.535 3.093 164 1HG2 ILE 27 1HG2 ILE 27 4.650 9.949 0.208 165 2HG2 ILE 27 2HG2 ILE 27 3.094 9.158 -0.043 166 3HG2 ILE 27 3HG2 ILE 27 4.592 8.276 -0.350 167 1HD1 ILE 27 1HD1 ILE 27 5.301 6.811 0.272 168 2HD1 ILE 27 2HD1 ILE 27 5.750 5.841 1.675 169 3HD1 ILE 27 3HD1 ILE 27 6.942 6.892 0.911 170 H GLN 28 H GLN 28 5.536 9.840 4.500 171 HA GLN 28 HA GLN 28 4.824 7.801 6.220 172 1HB GLN 28 2HB GLN 28 6.962 8.849 6.434 173 2HB GLN 28 1HB GLN 28 6.236 10.420 6.743 174 1HG GLN 28 2HG GLN 28 7.154 9.455 8.772 175 2HG GLN 28 1HG GLN 28 5.404 9.632 8.886 176 1HE2 GLN 28 1HE2 GLN 28 7.868 7.655 9.617 177 2HE2 GLN 28 2HE2 GLN 28 7.050 6.134 9.634 178 H GLY 29 H GLY 29 3.394 7.524 7.827 179 1HA GLY 29 2HA GLY 29 1.622 7.897 9.230 180 2HA GLY 29 1HA GLY 29 2.182 9.556 9.340 181 H ILE 30 H ILE 30 1.491 8.559 6.156 182 HA ILE 30 HA ILE 30 -0.989 10.084 6.239 183 HB ILE 30 HB ILE 30 0.747 9.421 3.862 184 1HG1 ILE 30 2HG1 ILE 30 1.832 10.999 5.380 185 2HG1 ILE 30 1HG1 ILE 30 1.330 11.814 3.901 186 1HG2 ILE 30 1HG2 ILE 30 -1.916 10.660 4.141 187 2HG2 ILE 30 2HG2 ILE 30 -1.210 9.774 2.789 188 3HG2 ILE 30 3HG2 ILE 30 -0.794 11.468 3.047 189 1HD1 ILE 30 1HD1 ILE 30 0.879 13.184 5.861 190 2HD1 ILE 30 2HD1 ILE 30 -0.119 11.900 6.544 191 3HD1 ILE 30 3HD1 ILE 30 -0.624 12.715 5.065 192 H SER 31 H SER 31 -2.803 8.927 6.255 193 HA SER 31 HA SER 31 -2.806 6.210 5.183 194 1HB SER 31 2HB SER 31 -4.930 7.731 6.721 195 2HB SER 31 1HB SER 31 -5.037 6.038 6.244 196 HG SER 31 HG SER 31 -3.286 7.241 8.105 197 H GLY 32 H GLY 32 -4.806 5.555 3.848 198 1HA GLY 32 2HA GLY 32 -6.465 7.283 2.547 199 2HA GLY 32 1HA GLY 32 -4.953 7.403 1.654 200 H ARG 33 H ARG 33 -6.458 6.603 -0.037 201 HA ARG 33 HA ARG 33 -6.839 3.713 0.121 202 1HB ARG 33 2HB ARG 33 -8.121 5.841 -1.509 203 2HB ARG 33 1HB ARG 33 -8.257 4.156 -1.950 204 1HG ARG 33 2HG ARG 33 -10.197 4.822 -0.699 205 2HG ARG 33 1HG ARG 33 -9.244 3.681 0.249 206 1HD ARG 33 2HD ARG 33 -8.311 5.497 1.550 207 2HD ARG 33 1HD ARG 33 -9.156 6.681 0.554 208 HE ARG 33 HE ARG 33 -11.042 4.923 1.642 209 1HH1 ARG 33 1HH1 ARG 33 -8.823 7.406 2.685 210 2HH1 ARG 33 2HH1 ARG 33 -9.785 7.869 4.047 211 1HH2 ARG 33 1HH2 ARG 33 -12.310 5.531 3.434 212 2HH2 ARG 33 2HH2 ARG 33 -11.765 6.805 4.474 213 H VAL 34 H VAL 34 -6.709 2.605 -2.038 214 HA VAL 34 HA VAL 34 -4.055 3.209 -3.180 215 HB VAL 34 HB VAL 34 -5.370 0.677 -2.585 216 1HG1 VAL 34 1HG1 VAL 34 -4.315 -0.608 -4.366 217 2HG1 VAL 34 2HG1 VAL 34 -3.835 0.891 -5.154 218 3HG1 VAL 34 3HG1 VAL 34 -5.550 0.483 -4.994 219 1HG2 VAL 34 1HG2 VAL 34 -3.403 1.289 -1.413 220 2HG2 VAL 34 2HG2 VAL 34 -2.538 1.589 -2.920 221 3HG2 VAL 34 3HG2 VAL 34 -2.989 -0.057 -2.474 222 H VAL 35 H VAL 35 -3.605 2.847 -5.415 223 HA VAL 35 HA VAL 35 -5.963 3.230 -7.136 224 HB VAL 35 HB VAL 35 -4.294 5.194 -7.057 225 1HG1 VAL 35 1HG1 VAL 35 -2.360 4.992 -8.526 226 2HG1 VAL 35 2HG1 VAL 35 -2.652 3.262 -8.660 227 3HG1 VAL 35 3HG1 VAL 35 -2.243 3.969 -7.102 228 1HG2 VAL 35 1HG2 VAL 35 -4.258 4.865 -9.819 229 2HG2 VAL 35 2HG2 VAL 35 -5.505 5.662 -8.863 230 3HG2 VAL 35 3HG2 VAL 35 -5.664 3.954 -9.270 231 H ASP 36 H ASP 36 -2.695 1.942 -6.836 232 HA ASP 36 HA ASP 36 -3.445 -0.540 -8.021 233 1HB ASP 36 2HB ASP 36 -1.794 -0.520 -9.843 234 2HB ASP 36 1HB ASP 36 -3.032 0.710 -10.076 235 H GLU 37 H GLU 37 -1.918 -2.192 -7.575 236 HA GLU 37 HA GLU 37 0.219 -1.345 -5.727 237 1HB GLU 37 2HB GLU 37 -1.690 -2.604 -4.707 238 2HB GLU 37 1HB GLU 37 -1.266 -3.976 -5.714 239 1HG GLU 37 2HG GLU 37 0.749 -2.770 -3.866 240 2HG GLU 37 1HG GLU 37 -0.465 -3.894 -3.263 241 H THR 38 H THR 38 2.240 -1.785 -6.303 242 HA THR 38 HA THR 38 2.702 -3.943 -8.255 243 HB THR 38 HB THR 38 4.249 -1.349 -8.056 244 HG1 THR 38 1HG THR 38 3.098 -0.657 -9.756 245 1HG2 THR 38 1HG2 THR 38 5.621 -3.112 -8.961 246 2HG2 THR 38 2HG2 THR 38 5.158 -1.994 -10.241 247 3HG2 THR 38 3HG2 THR 38 4.351 -3.555 -10.098 248 H ARG 39 H ARG 39 4.681 -5.092 -8.039 249 HA ARG 39 HA ARG 39 5.404 -5.701 -5.407 250 1HB ARG 39 2HB ARG 39 6.805 -6.298 -8.007 251 2HB ARG 39 1HB ARG 39 7.273 -6.987 -6.458 252 1HG ARG 39 2HG ARG 39 5.087 -8.027 -6.240 253 2HG ARG 39 1HG ARG 39 4.587 -7.315 -7.774 254 1HD ARG 39 2HD ARG 39 6.841 -9.279 -7.382 255 2HD ARG 39 1HD ARG 39 5.252 -9.656 -8.043 256 HE ARG 39 HE ARG 39 7.447 -8.561 -9.453 257 1HH1 ARG 39 1HH1 ARG 39 3.967 -8.396 -9.232 258 2HH1 ARG 39 2HH1 ARG 39 3.766 -7.840 -10.858 259 1HH2 ARG 39 1HH2 ARG 39 7.182 -7.833 -11.593 260 2HH2 ARG 39 2HH2 ARG 39 5.590 -7.523 -12.200 261 H ASN 40 H ASN 40 6.357 -3.003 -7.193 262 HA ASN 40 HA ASN 40 8.643 -2.655 -5.385 263 1HB ASN 40 2HB ASN 40 9.847 -1.423 -7.131 264 2HB ASN 40 1HB ASN 40 9.530 -3.086 -7.591 265 1HD2 ASN 40 1HD2 ASN 40 6.639 -1.462 -7.907 266 2HD2 ASN 40 2HD2 ASN 40 6.758 -1.036 -9.568 267 H THR 41 H THR 41 5.638 -1.474 -6.151 268 HA THR 41 HA THR 41 6.150 0.926 -4.646 269 HB THR 41 HB THR 41 6.791 1.668 -6.891 270 HG1 THR 41 1HG THR 41 5.449 3.465 -6.939 271 1HG2 THR 41 1HG2 THR 41 5.467 0.214 -8.281 272 2HG2 THR 41 2HG2 THR 41 5.098 1.899 -8.645 273 3HG2 THR 41 3HG2 THR 41 3.981 0.941 -7.672 274 H LEU 42 H LEU 42 4.173 2.180 -4.238 275 HA LEU 42 HA LEU 42 1.684 0.678 -4.615 276 1HB LEU 42 2HB LEU 42 2.590 0.096 -2.393 277 2HB LEU 42 1HB LEU 42 2.638 1.791 -1.969 278 HG LEU 42 HG LEU 42 0.743 0.604 -0.947 279 1HD1 LEU 42 1HD1 LEU 42 -0.460 2.459 -2.960 280 2HD1 LEU 42 2HD1 LEU 42 0.697 3.073 -1.779 281 3HD1 LEU 42 3HD1 LEU 42 -0.794 2.305 -1.235 282 1HD2 LEU 42 1HD2 LEU 42 -0.988 0.388 -3.202 283 2HD2 LEU 42 2HD2 LEU 42 -0.454 -0.878 -2.097 284 3HD2 LEU 42 3HD2 LEU 42 0.488 -0.514 -3.542 285 H ARG 43 H ARG 43 0.575 2.103 -5.847 286 HA ARG 43 HA ARG 43 0.754 4.938 -5.167 287 1HB ARG 43 2HB ARG 43 1.120 4.183 -7.517 288 2HB ARG 43 1HB ARG 43 -0.552 3.660 -7.573 289 1HG ARG 43 2HG ARG 43 -1.307 5.943 -7.259 290 2HG ARG 43 1HG ARG 43 0.361 6.487 -7.068 291 1HD ARG 43 2HD ARG 43 0.868 5.801 -9.349 292 2HD ARG 43 1HD ARG 43 -0.775 5.198 -9.551 293 HE ARG 43 HE ARG 43 -0.893 7.900 -8.815 294 1HH1 ARG 43 1HH1 ARG 43 0.100 5.908 -11.504 295 2HH1 ARG 43 2HH1 ARG 43 -0.207 7.135 -12.688 296 1HH2 ARG 43 1HH2 ARG 43 -1.295 9.515 -10.373 297 2HH2 ARG 43 2HH2 ARG 43 -0.999 9.181 -12.046 298 H ILE 44 H ILE 44 -0.731 5.904 -4.073 299 HA ILE 44 HA ILE 44 -3.090 4.495 -3.194 300 HB ILE 44 HB ILE 44 -1.509 6.843 -2.305 301 1HG1 ILE 44 2HG1 ILE 44 -2.580 4.404 -0.888 302 2HG1 ILE 44 1HG1 ILE 44 -0.947 4.609 -1.515 303 1HG2 ILE 44 1HG2 ILE 44 -3.098 7.981 -1.274 304 2HG2 ILE 44 2HG2 ILE 44 -3.776 6.521 -0.561 305 3HG2 ILE 44 3HG2 ILE 44 -4.280 7.031 -2.168 306 1HD1 ILE 44 1HD1 ILE 44 -0.854 6.650 0.059 307 2HD1 ILE 44 2HD1 ILE 44 -0.702 5.031 0.740 308 3HD1 ILE 44 3HD1 ILE 44 -2.237 5.894 0.850 309 H GLU 45 H GLU 45 -5.061 4.738 -4.076 310 HA GLU 45 HA GLU 45 -5.810 7.419 -4.994 311 1HB GLU 45 2HB GLU 45 -5.648 6.103 -7.008 312 2HB GLU 45 1HB GLU 45 -6.574 4.791 -6.293 313 1HG GLU 45 2HG GLU 45 -8.506 6.372 -6.132 314 2HG GLU 45 1HG GLU 45 -7.552 7.531 -7.054 315 H MET 46 H MET 46 -7.597 8.172 -4.113 316 HA MET 46 HA MET 46 -9.288 6.358 -2.529 317 1HB MET 46 2HB MET 46 -9.611 8.145 -0.908 318 2HB MET 46 1HB MET 46 -7.904 7.765 -1.085 319 1HG MET 46 2HG MET 46 -7.895 9.714 -2.776 320 2HG MET 46 1HG MET 46 -9.404 10.176 -1.991 321 1HE MET 46 1HE MET 46 -5.640 9.670 -1.760 322 2HE MET 46 2HE MET 46 -6.038 8.593 -0.418 323 3HE MET 46 3HE MET 46 -5.217 10.123 -0.107 324 H ASP 47 H ASP 47 -11.453 6.673 -2.450 325 HA ASP 47 HA ASP 47 -12.862 7.281 -4.668 326 1HB ASP 47 2HB ASP 47 -13.817 6.141 -2.726 327 2HB ASP 47 1HB ASP 47 -13.815 7.656 -1.830 328 H ASP 48 H ASP 48 -11.614 9.591 -2.420 329 HA ASP 48 HA ASP 48 -13.284 11.752 -3.189 330 1HB ASP 48 2HB ASP 48 -10.534 11.791 -1.929 331 2HB ASP 48 1HB ASP 48 -11.620 13.171 -2.048 332 H GLY 49 H GLY 49 -11.484 10.075 -5.181 333 1HA GLY 49 2HA GLY 49 -10.604 10.494 -7.249 334 2HA GLY 49 1HA GLY 49 -11.193 12.144 -7.091 335 H ARG 50 H ARG 50 -9.144 10.869 -4.633 336 HA ARG 50 HA ARG 50 -6.999 12.645 -5.594 337 1HB ARG 50 2HB ARG 50 -7.529 11.615 -2.816 338 2HB ARG 50 1HB ARG 50 -6.173 12.631 -3.267 339 1HG ARG 50 2HG ARG 50 -7.710 14.410 -3.906 340 2HG ARG 50 1HG ARG 50 -9.081 13.387 -3.475 341 1HD ARG 50 2HD ARG 50 -8.576 14.969 -1.688 342 2HD ARG 50 1HD ARG 50 -8.307 13.308 -1.160 343 HE ARG 50 HE ARG 50 -6.141 13.871 -0.768 344 1HH1 ARG 50 1HH1 ARG 50 -7.422 16.118 -3.113 345 2HH1 ARG 50 2HH1 ARG 50 -5.955 17.031 -3.224 346 1HH2 ARG 50 1HH2 ARG 50 -4.214 15.075 -0.908 347 2HH2 ARG 50 2HH2 ARG 50 -4.135 16.441 -1.971 348 H GLU 51 H GLU 51 -5.432 11.665 -6.620 349 HA GLU 51 HA GLU 51 -4.659 8.961 -5.767 350 1HB GLU 51 2HB GLU 51 -3.787 8.650 -8.040 351 2HB GLU 51 1HB GLU 51 -5.491 9.077 -8.061 352 1HG GLU 51 2HG GLU 51 -4.564 10.322 -9.788 353 2HG GLU 51 1HG GLU 51 -4.721 11.470 -8.460 354 H ILE 52 H ILE 52 -2.524 8.512 -5.339 355 HA ILE 52 HA ILE 52 -0.443 10.452 -5.835 356 HB ILE 52 HB ILE 52 -1.430 11.366 -3.793 357 1HG1 ILE 52 2HG1 ILE 52 1.238 10.018 -3.299 358 2HG1 ILE 52 1HG1 ILE 52 1.001 11.550 -4.138 359 1HG2 ILE 52 1HG2 ILE 52 -2.289 10.042 -2.239 360 2HG2 ILE 52 2HG2 ILE 52 -0.674 9.448 -1.854 361 3HG2 ILE 52 3HG2 ILE 52 -1.649 8.625 -3.071 362 1HD1 ILE 52 1HD1 ILE 52 1.744 11.905 -1.840 363 2HD1 ILE 52 2HD1 ILE 52 0.347 11.006 -1.242 364 3HD1 ILE 52 3HD1 ILE 52 0.114 12.541 -2.080 365 H THR 53 H THR 53 1.693 9.607 -5.372 366 HA THR 53 HA THR 53 1.724 6.689 -5.465 367 HB THR 53 HB THR 53 3.931 8.698 -5.945 368 HG1 THR 53 1HG THR 53 2.963 8.855 -7.790 369 1HG2 THR 53 1HG2 THR 53 3.879 5.716 -6.259 370 2HG2 THR 53 2HG2 THR 53 5.030 6.706 -5.360 371 3HG2 THR 53 3HG2 THR 53 5.016 6.751 -7.124 372 H VAL 54 H VAL 54 3.104 5.412 -4.148 373 HA VAL 54 HA VAL 54 4.384 6.642 -1.852 374 HB VAL 54 HB VAL 54 2.158 4.633 -1.458 375 1HG1 VAL 54 1HG1 VAL 54 4.339 4.838 0.100 376 2HG1 VAL 54 2HG1 VAL 54 2.742 4.440 0.728 377 3HG1 VAL 54 3HG1 VAL 54 3.340 6.096 0.829 378 1HG2 VAL 54 1HG2 VAL 54 2.313 7.599 -1.003 379 2HG2 VAL 54 2HG2 VAL 54 1.161 6.583 -0.137 380 3HG2 VAL 54 3HG2 VAL 54 1.100 6.683 -1.898 381 HA PRO 55 HA PRO 55 7.125 3.337 -3.379 382 1HB PRO 55 2HB PRO 55 8.544 4.357 -0.951 383 2HB PRO 55 1HB PRO 55 9.190 3.984 -2.556 384 1HG PRO 55 2HG PRO 55 8.782 6.501 -1.847 385 2HG PRO 55 1HG PRO 55 8.362 5.955 -3.483 386 1HD PRO 55 2HD PRO 55 6.581 6.529 -1.160 387 2HD PRO 55 1HD PRO 55 6.304 6.812 -2.888 388 H LYS 56 H LYS 56 7.355 1.247 -2.801 389 HA LYS 56 HA LYS 56 6.209 0.415 -0.234 390 1HB LYS 56 2HB LYS 56 6.700 -1.075 -2.802 391 2HB LYS 56 1HB LYS 56 6.241 -1.882 -1.310 392 1HG LYS 56 2HG LYS 56 4.180 -0.580 -1.239 393 2HG LYS 56 1HG LYS 56 4.641 0.223 -2.740 394 1HD LYS 56 2HD LYS 56 3.072 -1.580 -3.194 395 2HD LYS 56 1HD LYS 56 4.654 -1.952 -3.881 396 1HE LYS 56 2HE LYS 56 5.156 -3.389 -1.973 397 2HE LYS 56 1HE LYS 56 3.594 -2.997 -1.257 398 1HZ LYS 56 1HZ LYS 56 3.540 -4.052 -3.967 399 2HZ LYS 56 2HZ LYS 56 2.507 -4.361 -2.664 400 3HZ LYS 56 3HZ LYS 56 4.006 -5.139 -2.758 401 H GLY 57 H GLY 57 9.216 1.045 -1.447 402 1HA GLY 57 2HA GLY 57 10.821 -1.106 -0.897 403 2HA GLY 57 1HA GLY 57 11.313 0.558 -0.635 404 H ILE 58 H ILE 58 9.544 1.209 1.467 405 HA ILE 58 HA ILE 58 9.867 -0.718 3.565 406 HB ILE 58 HB ILE 58 11.244 1.951 3.877 407 1HG1 ILE 58 2HG1 ILE 58 13.335 0.438 4.074 408 2HG1 ILE 58 1HG1 ILE 58 12.369 -0.770 3.235 409 1HG2 ILE 58 1HG2 ILE 58 10.184 0.731 5.874 410 2HG2 ILE 58 2HG2 ILE 58 11.849 1.289 6.024 411 3HG2 ILE 58 3HG2 ILE 58 11.515 -0.412 5.701 412 1HD1 ILE 58 1HD1 ILE 58 13.066 0.135 1.342 413 2HD1 ILE 58 2HD1 ILE 58 13.786 1.502 2.192 414 3HD1 ILE 58 3HD1 ILE 58 12.086 1.548 1.726 415 H ALA 59 H ALA 59 7.493 -0.136 2.904 416 HA ALA 59 HA ALA 59 6.638 1.994 4.735 417 1HB ALA 59 1HB ALA 59 5.354 3.036 3.215 418 2HB ALA 59 2HB ALA 59 4.887 1.531 2.425 419 3HB ALA 59 3HB ALA 59 6.451 2.264 2.072 420 H VAL 60 H VAL 60 5.646 1.058 6.416 421 HA VAL 60 HA VAL 60 4.054 -1.350 6.001 422 HB VAL 60 HB VAL 60 5.561 -1.246 7.957 423 1HG1 VAL 60 1HG1 VAL 60 3.717 0.620 9.349 424 2HG1 VAL 60 2HG1 VAL 60 4.917 1.301 8.251 425 3HG1 VAL 60 3HG1 VAL 60 5.432 0.313 9.618 426 1HG2 VAL 60 1HG2 VAL 60 3.874 -1.970 9.643 427 2HG2 VAL 60 2HG2 VAL 60 3.693 -2.741 8.068 428 3HG2 VAL 60 3HG2 VAL 60 2.609 -1.431 8.540 429 H PHE 61 H PHE 61 1.898 -1.374 5.867 430 HA PHE 61 HA PHE 61 0.334 0.751 7.037 431 1HB PHE 61 2HB PHE 61 -0.857 1.077 4.754 432 2HB PHE 61 1HB PHE 61 0.657 1.917 5.056 433 HD1 PHE 61 1HD PHE 61 -0.408 -1.416 3.727 434 HD2 PHE 61 2HD PHE 61 2.107 1.989 3.312 435 HE1 PHE 61 1HE PHE 61 0.551 -2.378 1.677 436 HE2 PHE 61 2HE PHE 61 3.069 1.036 1.260 437 HZ PHE 61 HZ PHE 61 2.291 -1.152 0.440 438 H HIS 62 H HIS 62 -1.761 0.210 7.432 439 HA HIS 62 HA HIS 62 -2.429 -2.605 6.949 440 1HB HIS 62 2HB HIS 62 -3.580 -0.656 8.959 441 2HB HIS 62 1HB HIS 62 -4.001 -2.359 8.825 442 HD1 HIS 62 1HD HIS 62 -1.583 -3.905 8.947 443 HD2 HIS 62 2HD HIS 62 -1.839 -0.289 10.975 444 HE1 HIS 62 1HE HIS 62 0.185 -4.010 10.732 445 HE2 HIS 62 2HE HIS 62 -0.046 -1.847 12.002 446 H PHE 63 H PHE 63 -4.205 -3.193 5.833 447 HA PHE 63 HA PHE 63 -5.674 -1.066 4.472 448 1HB PHE 63 2HB PHE 63 -5.455 -4.041 3.969 449 2HB PHE 63 1HB PHE 63 -6.506 -2.977 3.045 450 HD1 PHE 63 1HD PHE 63 -4.964 -4.249 1.290 451 HD2 PHE 63 2HD PHE 63 -3.674 -1.116 3.863 452 HE1 PHE 63 1HE PHE 63 -3.122 -3.741 -0.258 453 HE2 PHE 63 2HE PHE 63 -1.834 -0.603 2.319 454 HZ PHE 63 HZ PHE 63 -1.551 -1.917 0.256 455 H ARG 64 H ARG 64 -7.977 -1.140 4.276 456 HA ARG 64 HA ARG 64 -9.365 -2.704 6.343 457 1HB ARG 64 2HB ARG 64 -9.634 0.254 5.799 458 2HB ARG 64 1HB ARG 64 -10.845 -0.664 6.683 459 1HG ARG 64 2HG ARG 64 -7.959 -0.355 7.482 460 2HG ARG 64 1HG ARG 64 -9.322 0.524 8.175 461 1HD ARG 64 2HD ARG 64 -10.311 -1.687 8.811 462 2HD ARG 64 1HD ARG 64 -8.804 -2.441 8.298 463 HE ARG 64 HE ARG 64 -9.285 -1.155 10.763 464 1HH1 ARG 64 1HH1 ARG 64 -6.807 -1.563 8.339 465 2HH1 ARG 64 2HH1 ARG 64 -5.510 -1.240 9.437 466 1HH2 ARG 64 1HH2 ARG 64 -7.578 -0.740 12.207 467 2HH2 ARG 64 2HH2 ARG 64 -5.944 -0.779 11.633 468 H THR 65 H THR 65 -11.390 -3.439 5.801 469 HA THR 65 HA THR 65 -12.316 -2.811 3.075 470 HB THR 65 HB THR 65 -12.510 -5.452 4.533 471 HG1 THR 65 1HG THR 65 -10.962 -4.639 2.302 472 1HG2 THR 65 1HG2 THR 65 -14.140 -4.508 2.476 473 2HG2 THR 65 2HG2 THR 65 -13.978 -6.168 3.046 474 3HG2 THR 65 3HG2 THR 65 -12.981 -5.594 1.711 475 HA PRO 66 HA PRO 66 -15.930 -1.111 5.081 476 1HB PRO 66 2HB PRO 66 -17.146 -2.037 2.512 477 2HB PRO 66 1HB PRO 66 -17.306 -0.480 3.335 478 1HG PRO 66 2HG PRO 66 -15.717 -0.733 1.218 479 2HG PRO 66 1HG PRO 66 -15.239 0.273 2.599 480 1HD PRO 66 2HD PRO 66 -14.249 -2.410 1.775 481 2HD PRO 66 1HD PRO 66 -13.392 -1.090 2.595 482 H GLN 67 H GLN 67 -15.801 -4.288 3.596 483 HA GLN 67 HA GLN 67 -18.274 -5.259 4.543 484 1HB GLN 67 2HB GLN 67 -15.744 -6.775 3.884 485 2HB GLN 67 1HB GLN 67 -17.331 -7.499 4.105 486 1HG GLN 67 2HG GLN 67 -18.175 -6.231 2.193 487 2HG GLN 67 1HG GLN 67 -16.579 -5.517 1.968 488 1HE2 GLN 67 1HE2 GLN 67 -15.483 -6.411 0.392 489 2HE2 GLN 67 2HE2 GLN 67 -15.543 -8.069 -0.089 490 H GLY 68 H GLY 68 -15.411 -4.499 6.201 491 1HA GLY 68 2HA GLY 68 -15.410 -4.447 8.594 492 2HA GLY 68 1HA GLY 68 -16.446 -5.866 8.589 493 H GLU 69 H GLU 69 -13.503 -5.401 6.690 494 HA GLU 69 HA GLU 69 -12.233 -7.526 8.297 495 1HB GLU 69 2HB GLU 69 -11.991 -7.119 5.310 496 2HB GLU 69 1HB GLU 69 -11.157 -8.348 6.249 497 1HG GLU 69 2HG GLU 69 -14.139 -8.131 5.921 498 2HG GLU 69 1HG GLU 69 -13.088 -9.242 5.046 499 H LEU 70 H LEU 70 -9.985 -7.415 8.572 500 HA LEU 70 HA LEU 70 -8.752 -4.844 7.832 501 1HB LEU 70 2HB LEU 70 -9.418 -4.923 10.227 502 2HB LEU 70 1HB LEU 70 -8.383 -6.319 10.441 503 HG LEU 70 HG LEU 70 -7.395 -3.587 9.606 504 1HD1 LEU 70 1HD1 LEU 70 -7.423 -4.925 12.311 505 2HD1 LEU 70 2HD1 LEU 70 -8.286 -3.458 11.845 506 3HD1 LEU 70 3HD1 LEU 70 -6.522 -3.459 11.921 507 1HD2 LEU 70 1HD2 LEU 70 -6.108 -6.228 10.093 508 2HD2 LEU 70 2HD2 LEU 70 -5.246 -4.773 10.593 509 3HD2 LEU 70 3HD2 LEU 70 -5.719 -4.982 8.907 510 H VAL 71 H VAL 71 -6.921 -5.052 6.721 511 HA VAL 71 HA VAL 71 -5.418 -7.578 6.962 512 HB VAL 71 HB VAL 71 -5.740 -5.917 4.457 513 1HG1 VAL 71 1HG1 VAL 71 -3.616 -6.948 4.381 514 2HG1 VAL 71 2HG1 VAL 71 -4.680 -7.961 3.404 515 3HG1 VAL 71 3HG1 VAL 71 -4.243 -8.461 5.038 516 1HG2 VAL 71 1HG2 VAL 71 -7.410 -7.266 3.766 517 2HG2 VAL 71 2HG2 VAL 71 -7.640 -7.525 5.495 518 3HG2 VAL 71 3HG2 VAL 71 -6.723 -8.692 4.542 519 H GLU 72 H GLU 72 -3.112 -7.409 6.483 520 HA GLU 72 HA GLU 72 -2.042 -4.710 6.968 521 1HB GLU 72 2HB GLU 72 -0.241 -5.786 8.320 522 2HB GLU 72 1HB GLU 72 -1.842 -5.904 9.033 523 1HG GLU 72 2HG GLU 72 -0.729 -7.988 9.327 524 2HG GLU 72 1HG GLU 72 -2.016 -8.211 8.145 525 H ILE 73 H ILE 73 -0.027 -4.214 6.053 526 HA ILE 73 HA ILE 73 1.189 -6.162 4.254 527 HB ILE 73 HB ILE 73 0.236 -3.461 3.285 528 1HG1 ILE 73 2HG1 ILE 73 -1.588 -5.110 3.530 529 2HG1 ILE 73 1HG1 ILE 73 -1.290 -4.697 1.844 530 1HG2 ILE 73 1HG2 ILE 73 1.711 -5.668 1.856 531 2HG2 ILE 73 2HG2 ILE 73 2.331 -4.065 2.250 532 3HG2 ILE 73 3HG2 ILE 73 1.024 -4.241 1.079 533 1HD1 ILE 73 1HD1 ILE 73 -0.384 -6.770 1.364 534 2HD1 ILE 73 2HD1 ILE 73 -1.675 -7.166 2.499 535 3HD1 ILE 73 3HD1 ILE 73 -0.001 -7.109 3.052 536 H ASP 74 H ASP 74 3.160 -6.145 5.205 537 HA ASP 74 HA ASP 74 4.333 -3.722 6.207 538 1HB ASP 74 2HB ASP 74 5.509 -6.493 5.919 539 2HB ASP 74 1HB ASP 74 6.253 -5.158 6.792 540 H GLY 75 H GLY 75 4.835 -2.295 4.654 541 1HA GLY 75 2HA GLY 75 5.924 -2.913 2.125 542 2HA GLY 75 1HA GLY 75 5.930 -1.332 2.879 543 H ARG 76 H ARG 76 7.375 -2.953 5.189 544 HA ARG 76 HA ARG 76 10.002 -2.400 4.109 545 1HB ARG 76 2HB ARG 76 10.765 -2.407 6.448 546 2HB ARG 76 1HB ARG 76 9.469 -1.252 6.168 547 1HG ARG 76 2HG ARG 76 7.860 -2.849 7.113 548 2HG ARG 76 1HG ARG 76 9.185 -3.971 7.430 549 1HD ARG 76 2HD ARG 76 10.230 -2.328 8.905 550 2HD ARG 76 1HD ARG 76 8.927 -1.189 8.570 551 HE ARG 76 HE ARG 76 7.699 -2.251 10.160 552 1HH1 ARG 76 1HH1 ARG 76 10.126 -4.484 9.014 553 2HH1 ARG 76 2HH1 ARG 76 9.647 -5.750 10.093 554 1HH2 ARG 76 1HH2 ARG 76 7.074 -3.914 11.581 555 2HH2 ARG 76 2HH2 ARG 76 7.916 -5.426 11.551 556 H ALA 77 H ALA 77 8.341 -4.922 5.909 557 HA ALA 77 HA ALA 77 10.534 -6.742 5.349 558 1HB ALA 77 1HB ALA 77 9.876 -6.532 7.674 559 2HB ALA 77 2HB ALA 77 9.602 -8.172 7.082 560 3HB ALA 77 3HB ALA 77 8.244 -7.060 7.265 561 H LEU 78 H LEU 78 7.388 -6.106 4.182 562 HA LEU 78 HA LEU 78 7.045 -8.875 3.306 563 1HB LEU 78 2HB LEU 78 5.155 -7.600 4.376 564 2HB LEU 78 1HB LEU 78 5.108 -6.606 2.934 565 HG LEU 78 HG LEU 78 3.382 -8.383 2.964 566 1HD1 LEU 78 1HD1 LEU 78 3.442 -8.574 0.729 567 2HD1 LEU 78 2HD1 LEU 78 5.071 -9.249 0.726 568 3HD1 LEU 78 3HD1 LEU 78 4.838 -7.504 0.856 569 1HD2 LEU 78 1HD2 LEU 78 5.296 -9.985 3.998 570 2HD2 LEU 78 2HD2 LEU 78 5.326 -10.488 2.308 571 3HD2 LEU 78 3HD2 LEU 78 3.823 -10.572 3.227 572 H VAL 79 H VAL 79 7.536 -5.671 1.988 573 HA VAL 79 HA VAL 79 6.980 -6.123 -0.677 574 HB VAL 79 HB VAL 79 7.575 -3.909 0.197 575 1HG1 VAL 79 1HG1 VAL 79 10.475 -4.624 0.029 576 2HG1 VAL 79 2HG1 VAL 79 9.572 -4.904 1.518 577 3HG1 VAL 79 3HG1 VAL 79 9.701 -3.274 0.858 578 1HG2 VAL 79 1HG2 VAL 79 8.278 -3.151 -1.819 579 2HG2 VAL 79 2HG2 VAL 79 7.957 -4.821 -2.289 580 3HG2 VAL 79 3HG2 VAL 79 9.606 -4.309 -1.917 581 H ALA 80 H ALA 80 7.560 -7.991 -1.621 582 HA ALA 80 HA ALA 80 10.407 -8.735 -1.581 583 1HB ALA 80 1HB ALA 80 8.986 -10.468 -0.683 584 2HB ALA 80 2HB ALA 80 9.648 -10.993 -2.232 585 3HB ALA 80 3HB ALA 80 7.978 -10.435 -2.131 586 H ARG 81 H ARG 81 11.439 -7.998 -3.330 587 HA ARG 81 HA ARG 81 10.020 -7.627 -5.838 588 1HB ARG 81 2HB ARG 81 12.940 -7.138 -5.213 589 2HB ARG 81 1HB ARG 81 12.060 -6.569 -6.626 590 1HG ARG 81 2HG ARG 81 10.651 -5.182 -5.157 591 2HG ARG 81 1HG ARG 81 11.609 -5.715 -3.773 592 1HD ARG 81 2HD ARG 81 13.633 -4.806 -4.916 593 2HD ARG 81 1HD ARG 81 12.574 -4.144 -6.160 594 HE ARG 81 HE ARG 81 12.127 -2.417 -4.752 595 1HH1 ARG 81 1HH1 ARG 81 13.194 -5.128 -2.827 596 2HH1 ARG 81 2HH1 ARG 81 13.133 -4.252 -1.335 597 1HH2 ARG 81 1HH2 ARG 81 12.057 -1.263 -2.792 598 2HH2 ARG 81 2HH2 ARG 81 12.493 -2.059 -1.315 599 HA PRO 82 HA PRO 82 11.450 -11.766 -6.995 600 1HB PRO 82 2HB PRO 82 9.945 -12.006 -9.223 601 2HB PRO 82 1HB PRO 82 9.271 -12.208 -7.602 602 1HG PRO 82 2HG PRO 82 9.177 -9.820 -9.407 603 2HG PRO 82 1HG PRO 82 7.883 -10.530 -8.424 604 1HD PRO 82 2HD PRO 82 9.296 -8.342 -7.648 605 2HD PRO 82 1HD PRO 82 8.618 -9.509 -6.495 606 H GLU 83 H GLU 83 11.777 -8.780 -8.622 607 HA GLU 83 HA GLU 83 13.190 -9.822 -10.907 608 1HB GLU 83 2HB GLU 83 12.910 -6.984 -9.908 609 2HB GLU 83 1HB GLU 83 13.590 -7.455 -11.459 610 1HG GLU 83 2HG GLU 83 10.754 -7.914 -10.561 611 2HG GLU 83 1HG GLU 83 11.300 -6.676 -11.692 612 H GLU 84 H GLU 84 13.967 -8.666 -7.745 613 HA GLU 84 HA GLU 84 16.833 -8.722 -8.391 614 1HB GLU 84 2HB GLU 84 15.415 -7.499 -6.018 615 2HB GLU 84 1HB GLU 84 17.152 -7.472 -6.285 616 1HG GLU 84 2HG GLU 84 16.821 -6.174 -8.328 617 2HG GLU 84 1HG GLU 84 15.079 -6.197 -8.057 618 H ARG 85 H ARG 85 14.464 -10.654 -7.092 619 HA ARG 85 HA ARG 85 14.491 -12.597 -5.916 620 1HB ARG 85 2HB ARG 85 17.490 -12.372 -6.231 621 2HB ARG 85 1HB ARG 85 16.627 -13.808 -5.701 622 1HG ARG 85 2HG ARG 85 15.494 -13.923 -7.865 623 2HG ARG 85 1HG ARG 85 16.370 -12.487 -8.395 624 1HD ARG 85 2HD ARG 85 18.490 -13.670 -8.118 625 2HD ARG 85 1HD ARG 85 17.624 -15.104 -7.569 626 HE ARG 85 HE ARG 85 18.074 -14.330 -10.251 627 1HH1 ARG 85 1HH1 ARG 85 15.668 -15.797 -8.188 628 2HH1 ARG 85 2HH1 ARG 85 14.893 -16.643 -9.483 629 1HH2 ARG 85 1HH2 ARG 85 17.060 -15.450 -11.954 630 2HH2 ARG 85 2HH2 ARG 85 15.685 -16.450 -11.620 631 H ILE 86 H ILE 86 14.204 -13.000 -3.809 632 HA ILE 86 HA ILE 86 15.085 -11.044 -1.891 633 HB ILE 86 HB ILE 86 13.582 -13.621 -1.407 634 1HG1 ILE 86 2HG1 ILE 86 12.363 -12.197 -2.971 635 2HG1 ILE 86 1HG1 ILE 86 11.560 -12.203 -1.405 636 1HG2 ILE 86 1HG2 ILE 86 14.315 -11.295 0.300 637 2HG2 ILE 86 2HG2 ILE 86 14.265 -13.014 0.692 638 3HG2 ILE 86 3HG2 ILE 86 12.765 -12.092 0.573 639 1HD1 ILE 86 1HD1 ILE 86 13.411 -10.032 -2.357 640 2HD1 ILE 86 2HD1 ILE 86 12.423 -10.028 -0.896 641 3HD1 ILE 86 3HD1 ILE 86 11.652 -9.982 -2.482 Start of MODEL 7 1 H ARG 9 H ARG 9 -2.522 -9.145 -12.180 2 HA ARG 9 HA ARG 9 -0.405 -7.139 -12.394 3 1HB ARG 9 2HB ARG 9 -3.204 -6.748 -13.466 4 2HB ARG 9 1HB ARG 9 -1.976 -5.494 -13.353 5 1HG ARG 9 2HG ARG 9 -0.568 -6.720 -14.920 6 2HG ARG 9 1HG ARG 9 -1.788 -7.991 -15.026 7 1HD ARG 9 2HD ARG 9 -1.951 -6.477 -16.926 8 2HD ARG 9 1HD ARG 9 -3.395 -6.376 -15.917 9 HE ARG 9 HE ARG 9 -2.928 -4.174 -15.613 10 1HH1 ARG 9 1HH1 ARG 9 0.047 -5.789 -16.464 11 2HH1 ARG 9 2HH1 ARG 9 0.989 -4.338 -16.432 12 1HH2 ARG 9 1HH2 ARG 9 -1.691 -2.263 -15.579 13 2HH2 ARG 9 2HH2 ARG 9 0.003 -2.337 -15.932 14 H HIS 10 H HIS 10 -3.884 -7.057 -11.630 15 HA HIS 10 HA HIS 10 -3.167 -6.120 -8.931 16 1HB HIS 10 2HB HIS 10 -5.194 -4.720 -8.963 17 2HB HIS 10 1HB HIS 10 -4.072 -4.272 -10.243 18 HD1 HIS 10 1HD HIS 10 -6.640 -3.237 -10.907 19 HD2 HIS 10 2HD HIS 10 -5.817 -7.248 -11.605 20 HE1 HIS 10 1HE HIS 10 -8.315 -3.977 -12.629 21 HE2 HIS 10 2HE HIS 10 -7.847 -6.428 -12.977 22 H GLU 11 H GLU 11 -4.791 -6.545 -7.263 23 HA GLU 11 HA GLU 11 -6.985 -8.245 -7.605 24 1HB GLU 11 2HB GLU 11 -6.093 -10.360 -6.708 25 2HB GLU 11 1HB GLU 11 -5.362 -9.939 -8.251 26 1HG GLU 11 2HG GLU 11 -3.384 -9.102 -7.086 27 2HG GLU 11 1HG GLU 11 -4.117 -9.528 -5.541 28 H LEU 12 H LEU 12 -6.214 -5.939 -6.076 29 HA LEU 12 HA LEU 12 -7.319 -6.681 -3.561 30 1HB LEU 12 2HB LEU 12 -4.945 -7.425 -3.308 31 2HB LEU 12 1HB LEU 12 -4.445 -5.760 -3.524 32 HG LEU 12 HG LEU 12 -5.652 -5.129 -1.476 33 1HD1 LEU 12 1HD1 LEU 12 -7.402 -6.839 -1.575 34 2HD1 LEU 12 2HD1 LEU 12 -6.577 -6.837 -0.015 35 3HD1 LEU 12 3HD1 LEU 12 -6.203 -8.079 -1.210 36 1HD2 LEU 12 1HD2 LEU 12 -3.750 -7.440 -1.110 37 2HD2 LEU 12 2HD2 LEU 12 -4.166 -6.239 0.114 38 3HD2 LEU 12 3HD2 LEU 12 -3.297 -5.753 -1.342 39 H ILE 13 H ILE 13 -7.652 -4.743 -5.778 40 HA ILE 13 HA ILE 13 -7.141 -2.176 -4.501 41 HB ILE 13 HB ILE 13 -8.070 -1.187 -6.568 42 1HG1 ILE 13 2HG1 ILE 13 -8.238 -4.063 -7.497 43 2HG1 ILE 13 1HG1 ILE 13 -9.610 -3.012 -7.167 44 1HG2 ILE 13 1HG2 ILE 13 -6.186 -1.692 -7.959 45 2HG2 ILE 13 2HG2 ILE 13 -5.928 -3.229 -7.133 46 3HG2 ILE 13 3HG2 ILE 13 -5.659 -1.709 -6.275 47 1HD1 ILE 13 1HD1 ILE 13 -9.099 -3.247 -9.565 48 2HD1 ILE 13 2HD1 ILE 13 -7.530 -2.495 -9.276 49 3HD1 ILE 13 3HD1 ILE 13 -9.012 -1.579 -8.997 50 H GLY 14 H GLY 14 -8.900 -0.548 -4.433 51 1HA GLY 14 2HA GLY 14 -11.152 0.066 -4.147 52 2HA GLY 14 1HA GLY 14 -11.600 -1.630 -4.207 53 H LEU 15 H LEU 15 -8.978 -1.171 -2.162 54 HA LEU 15 HA LEU 15 -10.746 -1.229 0.190 55 1HB LEU 15 2HB LEU 15 -7.895 -2.197 0.000 56 2HB LEU 15 1HB LEU 15 -9.013 -2.455 1.325 57 HG LEU 15 HG LEU 15 -9.271 -3.630 -1.444 58 1HD1 LEU 15 1HD1 LEU 15 -7.427 -4.549 -0.062 59 2HD1 LEU 15 2HD1 LEU 15 -8.689 -5.724 -0.436 60 3HD1 LEU 15 3HD1 LEU 15 -8.618 -4.987 1.163 61 1HD2 LEU 15 1HD2 LEU 15 -11.405 -3.099 -0.160 62 2HD2 LEU 15 2HD2 LEU 15 -10.885 -4.336 0.988 63 3HD2 LEU 15 3HD2 LEU 15 -11.185 -4.765 -0.695 64 H SER 16 H SER 16 -9.730 -0.326 2.210 65 HA SER 16 HA SER 16 -8.464 2.238 1.559 66 1HB SER 16 2HB SER 16 -9.781 1.295 4.124 67 2HB SER 16 1HB SER 16 -9.130 2.911 3.847 68 HG SER 16 HG SER 16 -11.190 3.175 3.309 69 H VAL 17 H VAL 17 -6.498 2.858 2.432 70 HA VAL 17 HA VAL 17 -5.050 0.793 3.950 71 HB VAL 17 HB VAL 17 -3.816 2.620 1.893 72 1HG1 VAL 17 1HG1 VAL 17 -2.607 0.084 2.895 73 2HG1 VAL 17 2HG1 VAL 17 -2.497 1.549 3.871 74 3HG1 VAL 17 3HG1 VAL 17 -1.824 1.522 2.241 75 1HG2 VAL 17 1HG2 VAL 17 -5.173 1.232 0.592 76 2HG2 VAL 17 2HG2 VAL 17 -4.903 -0.164 1.639 77 3HG2 VAL 17 3HG2 VAL 17 -3.609 0.414 0.589 78 H ARG 18 H ARG 18 -3.769 1.459 5.618 79 HA ARG 18 HA ARG 18 -3.713 4.353 6.177 80 1HB ARG 18 2HB ARG 18 -5.240 3.160 7.698 81 2HB ARG 18 1HB ARG 18 -3.926 2.094 8.178 82 1HG ARG 18 2HG ARG 18 -2.717 3.984 9.121 83 2HG ARG 18 1HG ARG 18 -4.011 5.071 8.617 84 1HD ARG 18 2HD ARG 18 -5.581 3.830 10.054 85 2HD ARG 18 1HD ARG 18 -4.258 2.792 10.581 86 HE ARG 18 HE ARG 18 -3.684 4.413 12.065 87 1HH1 ARG 18 1HH1 ARG 18 -5.493 5.916 9.483 88 2HH1 ARG 18 2HH1 ARG 18 -5.428 7.495 10.190 89 1HH2 ARG 18 1HH2 ARG 18 -3.602 6.490 12.995 90 2HH2 ARG 18 2HH2 ARG 18 -4.357 7.821 12.183 91 H ILE 19 H ILE 19 -1.681 4.833 5.501 92 HA ILE 19 HA ILE 19 0.569 3.138 5.986 93 HB ILE 19 HB ILE 19 0.554 6.041 5.155 94 1HG1 ILE 19 2HG1 ILE 19 -0.743 4.678 3.594 95 2HG1 ILE 19 1HG1 ILE 19 0.778 5.181 2.859 96 1HG2 ILE 19 1HG2 ILE 19 2.668 4.022 5.515 97 2HG2 ILE 19 2HG2 ILE 19 2.748 5.782 5.605 98 3HG2 ILE 19 3HG2 ILE 19 2.760 4.977 4.035 99 1HD1 ILE 19 1HD1 ILE 19 1.706 2.925 3.497 100 2HD1 ILE 19 2HD1 ILE 19 0.440 2.905 2.267 101 3HD1 ILE 19 3HD1 ILE 19 0.061 2.459 3.932 102 H ALA 20 H ALA 20 1.737 2.982 7.776 103 HA ALA 20 HA ALA 20 1.323 4.839 9.951 104 1HB ALA 20 1HB ALA 20 3.366 3.015 10.612 105 2HB ALA 20 2HB ALA 20 2.149 2.120 9.705 106 3HB ALA 20 3HB ALA 20 1.688 3.009 11.156 107 H ARG 21 H ARG 21 3.985 3.731 7.954 108 HA ARG 21 HA ARG 21 5.212 6.260 7.822 109 1HB ARG 21 2HB ARG 21 7.254 5.835 9.088 110 2HB ARG 21 1HB ARG 21 5.847 5.759 10.140 111 1HG ARG 21 2HG ARG 21 5.915 3.328 10.080 112 2HG ARG 21 1HG ARG 21 7.301 3.386 8.991 113 1HD ARG 21 2HD ARG 21 8.599 4.556 10.713 114 2HD ARG 21 1HD ARG 21 7.214 4.484 11.803 115 HE ARG 21 HE ARG 21 9.108 2.434 11.348 116 1HH1 ARG 21 1HH1 ARG 21 5.701 2.938 11.932 117 2HH1 ARG 21 2HH1 ARG 21 5.456 1.356 12.594 118 1HH2 ARG 21 1HH2 ARG 21 8.785 0.359 12.224 119 2HH2 ARG 21 2HH2 ARG 21 7.206 -0.106 12.762 120 H SER 22 H SER 22 6.419 6.337 6.031 121 HA SER 22 HA SER 22 7.262 3.774 4.854 122 1HB SER 22 2HB SER 22 6.538 6.326 3.405 123 2HB SER 22 1HB SER 22 6.996 4.803 2.653 124 HG SER 22 HG SER 22 4.775 5.072 4.389 125 H VAL 23 H VAL 23 9.135 3.943 3.358 126 HA VAL 23 HA VAL 23 11.475 4.527 4.484 127 HB VAL 23 HB VAL 23 11.314 3.469 2.298 128 1HG1 VAL 23 1HG1 VAL 23 10.855 6.225 1.162 129 2HG1 VAL 23 2HG1 VAL 23 9.592 5.011 1.378 130 3HG1 VAL 23 3HG1 VAL 23 10.932 4.704 0.272 131 1HG2 VAL 23 1HG2 VAL 23 13.082 5.917 2.234 132 2HG2 VAL 23 2HG2 VAL 23 13.285 4.466 1.253 133 3HG2 VAL 23 3HG2 VAL 23 13.476 4.380 3.004 134 H HIS 24 H HIS 24 9.615 6.930 2.621 135 HA HIS 24 HA HIS 24 11.525 9.007 3.297 136 1HB HIS 24 2HB HIS 24 10.421 8.886 1.056 137 2HB HIS 24 1HB HIS 24 8.892 9.269 1.834 138 HD1 HIS 24 1HD HIS 24 12.352 10.856 2.018 139 HD2 HIS 24 2HD HIS 24 8.376 11.871 1.382 140 HE1 HIS 24 1HE HIS 24 12.340 13.350 1.694 141 HE2 HIS 24 2HE HIS 24 9.934 13.929 1.224 142 H ARG 25 H ARG 25 11.257 10.586 4.788 143 HA ARG 25 HA ARG 25 9.420 10.113 6.903 144 1HB ARG 25 2HB ARG 25 11.277 12.444 6.443 145 2HB ARG 25 1HB ARG 25 10.450 12.083 7.952 146 1HG ARG 25 2HG ARG 25 11.669 9.989 8.143 147 2HG ARG 25 1HG ARG 25 12.473 10.309 6.605 148 1HD ARG 25 2HD ARG 25 12.681 12.004 9.095 149 2HD ARG 25 1HD ARG 25 13.907 10.877 8.514 150 HE ARG 25 HE ARG 25 13.511 13.536 7.639 151 1HH1 ARG 25 1HH1 ARG 25 14.370 10.363 6.458 152 2HH1 ARG 25 2HH1 ARG 25 15.238 10.972 5.089 153 1HH2 ARG 25 1HH2 ARG 25 14.658 14.335 5.841 154 2HH2 ARG 25 2HH2 ARG 25 15.404 13.225 4.740 155 H ASP 26 H ASP 26 9.240 12.112 4.103 156 HA ASP 26 HA ASP 26 7.277 13.873 5.267 157 1HB ASP 26 2HB ASP 26 8.197 13.695 2.398 158 2HB ASP 26 1HB ASP 26 7.223 14.981 3.098 159 H ILE 27 H ILE 27 6.976 10.799 4.488 160 HA ILE 27 HA ILE 27 4.258 11.150 3.485 161 HB ILE 27 HB ILE 27 4.481 9.127 2.114 162 1HG1 ILE 27 2HG1 ILE 27 7.400 9.303 2.890 163 2HG1 ILE 27 1HG1 ILE 27 6.269 8.059 3.403 164 1HG2 ILE 27 1HG2 ILE 27 6.241 11.488 1.605 165 2HG2 ILE 27 2HG2 ILE 27 4.734 11.021 0.818 166 3HG2 ILE 27 3HG2 ILE 27 6.221 10.140 0.468 167 1HD1 ILE 27 1HD1 ILE 27 7.871 7.495 1.504 168 2HD1 ILE 27 2HD1 ILE 27 6.859 8.540 0.506 169 3HD1 ILE 27 3HD1 ILE 27 6.165 7.110 1.271 170 H GLN 28 H GLN 28 5.843 10.290 6.109 171 HA GLN 28 HA GLN 28 4.674 7.706 6.584 172 1HB GLN 28 2HB GLN 28 5.707 7.878 8.815 173 2HB GLN 28 1HB GLN 28 6.862 8.156 7.518 174 1HG GLN 28 2HG GLN 28 6.757 10.542 7.899 175 2HG GLN 28 1HG GLN 28 5.529 10.311 9.142 176 1HE2 GLN 28 1HE2 GLN 28 8.729 10.822 8.638 177 2HE2 GLN 28 2HE2 GLN 28 9.362 10.208 10.124 178 H GLY 29 H GLY 29 2.672 7.386 7.280 179 1HA GLY 29 2HA GLY 29 1.005 7.719 8.988 180 2HA GLY 29 1HA GLY 29 1.460 9.414 9.040 181 H ILE 30 H ILE 30 1.172 8.034 5.902 182 HA ILE 30 HA ILE 30 -1.032 9.762 5.309 183 HB ILE 30 HB ILE 30 0.335 7.728 3.544 184 1HG1 ILE 30 2HG1 ILE 30 0.700 10.726 3.767 185 2HG1 ILE 30 1HG1 ILE 30 1.842 9.508 4.330 186 1HG2 ILE 30 1HG2 ILE 30 -2.071 9.178 3.164 187 2HG2 ILE 30 2HG2 ILE 30 -1.221 8.143 2.017 188 3HG2 ILE 30 3HG2 ILE 30 -0.853 9.866 2.091 189 1HD1 ILE 30 1HD1 ILE 30 2.530 10.476 2.196 190 2HD1 ILE 30 2HD1 ILE 30 1.013 9.947 1.465 191 3HD1 ILE 30 3HD1 ILE 30 2.179 8.753 2.036 192 H SER 31 H SER 31 -3.125 9.272 5.179 193 HA SER 31 HA SER 31 -3.904 6.430 5.247 194 1HB SER 31 2HB SER 31 -4.299 7.443 7.445 195 2HB SER 31 1HB SER 31 -5.239 8.734 6.696 196 HG SER 31 HG SER 31 -6.797 7.255 6.132 197 H GLY 32 H GLY 32 -5.244 5.818 3.645 198 1HA GLY 32 2HA GLY 32 -7.317 7.413 2.598 199 2HA GLY 32 1HA GLY 32 -5.914 7.545 1.546 200 H ARG 33 H ARG 33 -7.337 6.574 -0.052 201 HA ARG 33 HA ARG 33 -7.788 3.722 0.341 202 1HB ARG 33 2HB ARG 33 -8.971 5.674 -1.575 203 2HB ARG 33 1HB ARG 33 -9.121 3.945 -1.818 204 1HG ARG 33 2HG ARG 33 -11.073 4.970 -0.699 205 2HG ARG 33 1HG ARG 33 -10.310 3.673 0.220 206 1HD ARG 33 2HD ARG 33 -9.180 5.308 1.620 207 2HD ARG 33 1HD ARG 33 -9.870 6.624 0.675 208 HE ARG 33 HE ARG 33 -11.962 5.042 1.638 209 1HH1 ARG 33 1HH1 ARG 33 -9.494 7.187 2.856 210 2HH1 ARG 33 2HH1 ARG 33 -10.422 7.677 4.232 211 1HH2 ARG 33 1HH2 ARG 33 -13.183 5.684 3.450 212 2HH2 ARG 33 2HH2 ARG 33 -12.516 6.823 4.570 213 H VAL 34 H VAL 34 -7.609 2.442 -1.764 214 HA VAL 34 HA VAL 34 -4.825 2.703 -2.631 215 HB VAL 34 HB VAL 34 -5.487 0.623 -1.488 216 1HG1 VAL 34 1HG1 VAL 34 -7.012 -0.906 -2.350 217 2HG1 VAL 34 2HG1 VAL 34 -7.019 -0.147 -3.942 218 3HG1 VAL 34 3HG1 VAL 34 -7.809 0.650 -2.583 219 1HG2 VAL 34 1HG2 VAL 34 -4.336 -0.868 -2.958 220 2HG2 VAL 34 2HG2 VAL 34 -3.619 0.733 -3.145 221 3HG2 VAL 34 3HG2 VAL 34 -4.739 0.119 -4.363 222 H VAL 35 H VAL 35 -4.146 2.172 -4.796 223 HA VAL 35 HA VAL 35 -6.257 2.437 -6.829 224 HB VAL 35 HB VAL 35 -3.669 3.280 -7.812 225 1HG1 VAL 35 1HG1 VAL 35 -5.180 3.811 -9.339 226 2HG1 VAL 35 2HG1 VAL 35 -5.365 5.289 -8.395 227 3HG1 VAL 35 3HG1 VAL 35 -6.480 3.942 -8.158 228 1HG2 VAL 35 1HG2 VAL 35 -4.215 4.325 -5.321 229 2HG2 VAL 35 2HG2 VAL 35 -4.707 5.589 -6.439 230 3HG2 VAL 35 3HG2 VAL 35 -3.070 4.952 -6.496 231 H ASP 36 H ASP 36 -2.907 1.494 -6.194 232 HA ASP 36 HA ASP 36 -3.287 -1.060 -7.442 233 1HB ASP 36 2HB ASP 36 -2.900 0.353 -9.418 234 2HB ASP 36 1HB ASP 36 -1.387 0.916 -8.718 235 H GLU 37 H GLU 37 -1.214 -2.360 -7.413 236 HA GLU 37 HA GLU 37 0.499 -1.531 -5.159 237 1HB GLU 37 2HB GLU 37 -0.957 -3.409 -4.538 238 2HB GLU 37 1HB GLU 37 -0.376 -4.328 -5.921 239 1HG GLU 37 2HG GLU 37 1.871 -4.345 -4.971 240 2HG GLU 37 1HG GLU 37 1.292 -3.419 -3.588 241 H THR 38 H THR 38 2.631 -1.354 -5.637 242 HA THR 38 HA THR 38 3.586 -2.715 -8.071 243 HB THR 38 HB THR 38 4.372 0.013 -7.053 244 HG1 THR 38 1HG THR 38 3.253 0.768 -8.806 245 1HG2 THR 38 1HG2 THR 38 5.625 0.276 -9.101 246 2HG2 THR 38 2HG2 THR 38 5.219 -1.370 -9.586 247 3HG2 THR 38 3HG2 THR 38 6.244 -1.094 -8.178 248 H ARG 39 H ARG 39 5.796 -3.265 -8.171 249 HA ARG 39 HA ARG 39 6.876 -4.766 -6.201 250 1HB ARG 39 2HB ARG 39 8.926 -4.691 -7.365 251 2HB ARG 39 1HB ARG 39 7.675 -4.481 -8.578 252 1HG ARG 39 2HG ARG 39 8.087 -1.990 -8.358 253 2HG ARG 39 1HG ARG 39 9.534 -2.419 -7.440 254 1HD ARG 39 2HD ARG 39 10.135 -2.064 -9.748 255 2HD ARG 39 1HD ARG 39 10.301 -3.774 -9.352 256 HE ARG 39 HE ARG 39 8.783 -4.216 -10.979 257 1HH1 ARG 39 1HH1 ARG 39 8.290 -0.925 -9.925 258 2HH1 ARG 39 2HH1 ARG 39 7.007 -0.627 -11.046 259 1HH2 ARG 39 1HH2 ARG 39 7.098 -3.821 -12.460 260 2HH2 ARG 39 2HH2 ARG 39 6.331 -2.268 -12.485 261 H ASN 40 H ASN 40 7.460 -1.283 -6.631 262 HA ASN 40 HA ASN 40 8.355 -1.180 -3.846 263 1HB ASN 40 2HB ASN 40 10.208 0.334 -4.429 264 2HB ASN 40 1HB ASN 40 10.403 -1.263 -5.129 265 1HD2 ASN 40 1HD2 ASN 40 8.047 0.359 -6.885 266 2HD2 ASN 40 2HD2 ASN 40 9.049 0.969 -8.142 267 H THR 41 H THR 41 5.872 -0.367 -5.230 268 HA THR 41 HA THR 41 5.731 2.269 -4.059 269 HB THR 41 HB THR 41 4.570 3.132 -6.215 270 HG1 THR 41 1HG THR 41 6.329 1.246 -7.370 271 1HG2 THR 41 1HG2 THR 41 6.666 4.040 -5.319 272 2HG2 THR 41 2HG2 THR 41 6.601 4.049 -7.082 273 3HG2 THR 41 3HG2 THR 41 7.557 2.828 -6.240 274 H LEU 42 H LEU 42 3.669 2.935 -3.546 275 HA LEU 42 HA LEU 42 1.562 0.914 -3.972 276 1HB LEU 42 2HB LEU 42 2.545 1.004 -1.664 277 2HB LEU 42 1HB LEU 42 1.900 2.620 -1.509 278 HG LEU 42 HG LEU 42 0.489 0.983 -0.380 279 1HD1 LEU 42 1HD1 LEU 42 -0.448 3.023 -1.608 280 2HD1 LEU 42 2HD1 LEU 42 -1.583 1.746 -1.169 281 3HD1 LEU 42 3HD1 LEU 42 -1.004 1.878 -2.829 282 1HD2 LEU 42 1HD2 LEU 42 -0.740 -0.705 -1.670 283 2HD2 LEU 42 2HD2 LEU 42 1.002 -0.967 -1.750 284 3HD2 LEU 42 3HD2 LEU 42 0.154 -0.246 -3.119 285 H ARG 43 H ARG 43 0.134 1.738 -5.308 286 HA ARG 43 HA ARG 43 -0.339 4.570 -5.496 287 1HB ARG 43 2HB ARG 43 -0.950 2.176 -7.041 288 2HB ARG 43 1HB ARG 43 -2.295 3.291 -6.977 289 1HG ARG 43 2HG ARG 43 -0.888 5.079 -7.832 290 2HG ARG 43 1HG ARG 43 0.494 3.981 -7.857 291 1HD ARG 43 2HD ARG 43 -0.657 2.565 -9.483 292 2HD ARG 43 1HD ARG 43 -2.052 3.643 -9.444 293 HE ARG 43 HE ARG 43 0.208 5.148 -10.112 294 1HH1 ARG 43 1HH1 ARG 43 -1.778 2.617 -11.463 295 2HH1 ARG 43 2HH1 ARG 43 -1.465 3.074 -13.104 296 1HH2 ARG 43 1HH2 ARG 43 0.621 5.752 -12.269 297 2HH2 ARG 43 2HH2 ARG 43 -0.103 4.855 -13.562 298 H ILE 44 H ILE 44 -1.720 5.662 -4.316 299 HA ILE 44 HA ILE 44 -3.788 4.271 -2.755 300 HB ILE 44 HB ILE 44 -2.387 6.917 -2.355 301 1HG1 ILE 44 2HG1 ILE 44 -1.129 4.859 -1.773 302 2HG1 ILE 44 1HG1 ILE 44 -1.420 5.914 -0.394 303 1HG2 ILE 44 1HG2 ILE 44 -4.221 5.869 -0.271 304 2HG2 ILE 44 2HG2 ILE 44 -4.904 6.749 -1.637 305 3HG2 ILE 44 3HG2 ILE 44 -3.705 7.520 -0.602 306 1HD1 ILE 44 1HD1 ILE 44 -3.183 4.480 0.386 307 2HD1 ILE 44 2HD1 ILE 44 -1.723 3.529 0.121 308 3HD1 ILE 44 3HD1 ILE 44 -3.042 3.466 -1.050 309 H GLU 45 H GLU 45 -5.706 4.295 -3.877 310 HA GLU 45 HA GLU 45 -6.658 6.915 -4.783 311 1HB GLU 45 2HB GLU 45 -6.299 5.760 -6.793 312 2HB GLU 45 1HB GLU 45 -6.928 4.250 -6.154 313 1HG GLU 45 2HG GLU 45 -9.178 5.239 -6.105 314 2HG GLU 45 1HG GLU 45 -8.523 6.729 -6.779 315 H MET 46 H MET 46 -8.686 7.454 -4.424 316 HA MET 46 HA MET 46 -10.288 5.798 -2.594 317 1HB MET 46 2HB MET 46 -10.292 8.793 -3.022 318 2HB MET 46 1HB MET 46 -11.399 7.940 -1.966 319 1HG MET 46 2HG MET 46 -9.944 8.507 -0.375 320 2HG MET 46 1HG MET 46 -9.028 7.128 -0.958 321 1HE MET 46 1HE MET 46 -7.091 8.224 -3.562 322 2HE MET 46 2HE MET 46 -7.153 7.065 -2.235 323 3HE MET 46 3HE MET 46 -5.911 8.314 -2.257 324 H ASP 47 H ASP 47 -12.302 5.210 -3.154 325 HA ASP 47 HA ASP 47 -13.160 5.105 -5.757 326 1HB ASP 47 2HB ASP 47 -14.889 5.175 -3.277 327 2HB ASP 47 1HB ASP 47 -15.407 4.605 -4.862 328 H ASP 48 H ASP 48 -13.378 7.760 -3.569 329 HA ASP 48 HA ASP 48 -15.478 9.189 -4.782 330 1HB ASP 48 2HB ASP 48 -13.108 10.224 -3.212 331 2HB ASP 48 1HB ASP 48 -14.555 11.152 -3.599 332 H GLY 49 H GLY 49 -12.428 8.424 -5.979 333 1HA GLY 49 2HA GLY 49 -11.851 8.952 -8.230 334 2HA GLY 49 1HA GLY 49 -12.716 10.471 -8.064 335 H ARG 50 H ARG 50 -10.642 9.465 -5.504 336 HA ARG 50 HA ARG 50 -8.746 11.591 -6.252 337 1HB ARG 50 2HB ARG 50 -9.279 10.319 -3.565 338 2HB ARG 50 1HB ARG 50 -8.086 11.574 -3.863 339 1HG ARG 50 2HG ARG 50 -9.864 13.111 -4.518 340 2HG ARG 50 1HG ARG 50 -11.063 11.849 -4.236 341 1HD ARG 50 2HD ARG 50 -10.401 11.754 -1.878 342 2HD ARG 50 1HD ARG 50 -9.215 13.026 -2.161 343 HE ARG 50 HE ARG 50 -11.980 13.375 -1.683 344 1HH1 ARG 50 1HH1 ARG 50 -9.336 14.675 -3.556 345 2HH1 ARG 50 2HH1 ARG 50 -10.060 16.238 -3.723 346 1HH2 ARG 50 1HH2 ARG 50 -12.928 15.431 -1.899 347 2HH2 ARG 50 2HH2 ARG 50 -12.097 16.669 -2.780 348 H GLU 51 H GLU 51 -6.485 11.200 -6.162 349 HA GLU 51 HA GLU 51 -5.636 8.448 -5.697 350 1HB GLU 51 2HB GLU 51 -5.109 9.874 -8.311 351 2HB GLU 51 1HB GLU 51 -4.498 8.287 -7.858 352 1HG GLU 51 2HG GLU 51 -6.768 7.417 -7.792 353 2HG GLU 51 1HG GLU 51 -7.399 9.011 -8.203 354 H ILE 52 H ILE 52 -3.513 8.219 -5.125 355 HA ILE 52 HA ILE 52 -1.587 10.336 -5.409 356 HB ILE 52 HB ILE 52 -2.823 11.136 -3.448 357 1HG1 ILE 52 2HG1 ILE 52 -0.081 10.034 -2.783 358 2HG1 ILE 52 1HG1 ILE 52 -0.412 11.567 -3.591 359 1HG2 ILE 52 1HG2 ILE 52 -1.910 8.845 -1.797 360 2HG2 ILE 52 2HG2 ILE 52 -3.339 8.628 -2.808 361 3HG2 ILE 52 3HG2 ILE 52 -3.304 9.905 -1.592 362 1HD1 ILE 52 1HD1 ILE 52 -1.523 12.393 -1.572 363 2HD1 ILE 52 2HD1 ILE 52 0.139 11.905 -1.234 364 3HD1 ILE 52 3HD1 ILE 52 -1.202 10.859 -0.764 365 H THR 53 H THR 53 0.502 9.534 -5.288 366 HA THR 53 HA THR 53 0.716 6.642 -4.991 367 HB THR 53 HB THR 53 1.698 7.638 -6.975 368 HG1 THR 53 1HG THR 53 2.795 5.852 -6.216 369 1HG2 THR 53 1HG2 THR 53 2.295 9.824 -6.365 370 2HG2 THR 53 2HG2 THR 53 3.807 8.987 -6.711 371 3HG2 THR 53 3HG2 THR 53 3.312 9.259 -5.040 372 H VAL 54 H VAL 54 2.244 5.597 -3.671 373 HA VAL 54 HA VAL 54 3.728 7.144 -1.715 374 HB VAL 54 HB VAL 54 1.632 5.165 -0.807 375 1HG1 VAL 54 1HG1 VAL 54 3.655 5.186 0.589 376 2HG1 VAL 54 2HG1 VAL 54 2.261 5.841 1.448 377 3HG1 VAL 54 3HG1 VAL 54 3.487 6.929 0.796 378 1HG2 VAL 54 1HG2 VAL 54 0.559 7.148 0.232 379 2HG2 VAL 54 2HG2 VAL 54 0.566 7.204 -1.531 380 3HG2 VAL 54 3HG2 VAL 54 1.717 8.176 -0.614 381 HA PRO 55 HA PRO 55 6.432 3.686 -2.810 382 1HB PRO 55 2HB PRO 55 8.044 4.887 -0.621 383 2HB PRO 55 1HB PRO 55 8.515 4.480 -2.275 384 1HG PRO 55 2HG PRO 55 8.133 7.013 -1.561 385 2HG PRO 55 1HG PRO 55 7.606 6.429 -3.152 386 1HD PRO 55 2HD PRO 55 5.982 6.965 -0.696 387 2HD PRO 55 1HD PRO 55 5.596 7.298 -2.395 388 H LYS 56 H LYS 56 6.029 1.697 -2.087 389 HA LYS 56 HA LYS 56 5.549 1.270 0.772 390 1HB LYS 56 2HB LYS 56 4.648 -0.941 0.059 391 2HB LYS 56 1HB LYS 56 3.771 0.437 -0.567 392 1HG LYS 56 2HG LYS 56 5.066 0.180 -2.696 393 2HG LYS 56 1HG LYS 56 5.713 -1.321 -2.039 394 1HD LYS 56 2HD LYS 56 2.809 -0.694 -2.573 395 2HD LYS 56 1HD LYS 56 3.836 -1.783 -3.504 396 1HE LYS 56 2HE LYS 56 2.540 -3.166 -2.106 397 2HE LYS 56 1HE LYS 56 4.138 -3.105 -1.369 398 1HZ LYS 56 1HZ LYS 56 2.436 -1.037 -0.386 399 2HZ LYS 56 2HZ LYS 56 3.299 -2.213 0.469 400 3HZ LYS 56 3HZ LYS 56 1.762 -2.567 -0.136 401 H GLY 57 H GLY 57 8.133 1.052 -1.282 402 1HA GLY 57 2HA GLY 57 9.265 -1.430 -0.945 403 2HA GLY 57 1HA GLY 57 10.199 0.058 -0.998 404 H ILE 58 H ILE 58 8.832 1.032 1.464 405 HA ILE 58 HA ILE 58 9.594 -0.798 3.539 406 HB ILE 58 HB ILE 58 10.992 1.879 3.405 407 1HG1 ILE 58 2HG1 ILE 58 13.081 0.354 3.256 408 2HG1 ILE 58 1HG1 ILE 58 11.960 -0.886 2.705 409 1HG2 ILE 58 1HG2 ILE 58 11.593 -0.386 5.281 410 2HG2 ILE 58 2HG2 ILE 58 10.386 0.842 5.653 411 3HG2 ILE 58 3HG2 ILE 58 12.068 1.308 5.405 412 1HD1 ILE 58 1HD1 ILE 58 11.384 1.366 1.167 413 2HD1 ILE 58 2HD1 ILE 58 12.230 -0.095 0.659 414 3HD1 ILE 58 3HD1 ILE 58 13.143 1.290 1.257 415 H ALA 59 H ALA 59 7.133 -0.234 3.334 416 HA ALA 59 HA ALA 59 6.640 1.929 5.252 417 1HB ALA 59 1HB ALA 59 6.158 2.778 3.018 418 2HB ALA 59 2HB ALA 59 4.706 2.703 4.015 419 3HB ALA 59 3HB ALA 59 4.992 1.477 2.780 420 H VAL 60 H VAL 60 5.824 1.010 7.044 421 HA VAL 60 HA VAL 60 4.225 -1.384 6.926 422 HB VAL 60 HB VAL 60 5.668 -1.004 8.870 423 1HG1 VAL 60 1HG1 VAL 60 3.924 1.021 10.086 424 2HG1 VAL 60 2HG1 VAL 60 4.894 1.594 8.728 425 3HG1 VAL 60 3HG1 VAL 60 5.680 0.861 10.126 426 1HG2 VAL 60 1HG2 VAL 60 3.823 -2.443 9.271 427 2HG2 VAL 60 2HG2 VAL 60 2.700 -1.087 9.399 428 3HG2 VAL 60 3HG2 VAL 60 3.911 -1.353 10.655 429 H PHE 61 H PHE 61 2.052 -1.526 6.817 430 HA PHE 61 HA PHE 61 0.402 0.674 7.693 431 1HB PHE 61 2HB PHE 61 -0.685 1.075 5.557 432 2HB PHE 61 1HB PHE 61 1.042 1.380 5.418 433 HD1 PHE 61 1HD PHE 61 2.187 0.495 3.640 434 HD2 PHE 61 2HD PHE 61 -1.451 -1.341 4.867 435 HE1 PHE 61 1HE PHE 61 2.303 -1.020 1.708 436 HE2 PHE 61 2HE PHE 61 -1.338 -2.862 2.939 437 HZ PHE 61 HZ PHE 61 0.540 -2.703 1.356 438 H HIS 62 H HIS 62 -1.933 0.197 7.356 439 HA HIS 62 HA HIS 62 -2.497 -2.679 7.226 440 1HB HIS 62 2HB HIS 62 -3.780 -0.931 9.315 441 2HB HIS 62 1HB HIS 62 -3.692 -2.688 9.258 442 HD1 HIS 62 1HD HIS 62 -0.761 -3.252 9.100 443 HD2 HIS 62 2HD HIS 62 -2.307 -0.188 11.439 444 HE1 HIS 62 1HE HIS 62 0.973 -2.816 10.866 445 HE2 HIS 62 2HE HIS 62 -0.013 -1.005 12.310 446 H PHE 63 H PHE 63 -4.090 -3.017 5.768 447 HA PHE 63 HA PHE 63 -5.735 -0.722 5.012 448 1HB PHE 63 2HB PHE 63 -6.245 -1.898 2.972 449 2HB PHE 63 1HB PHE 63 -4.509 -1.955 3.238 450 HD1 PHE 63 1HD PHE 63 -3.440 -3.948 2.901 451 HD2 PHE 63 2HD PHE 63 -7.567 -3.989 3.938 452 HE1 PHE 63 1HE PHE 63 -3.485 -6.389 2.609 453 HE2 PHE 63 2HE PHE 63 -7.618 -6.429 3.655 454 HZ PHE 63 HZ PHE 63 -5.577 -7.634 2.989 455 H ARG 64 H ARG 64 -7.935 -0.716 4.973 456 HA ARG 64 HA ARG 64 -9.231 -2.821 6.575 457 1HB ARG 64 2HB ARG 64 -9.170 -0.373 7.374 458 2HB ARG 64 1HB ARG 64 -10.320 -0.053 6.088 459 1HG ARG 64 2HG ARG 64 -10.721 -1.926 8.410 460 2HG ARG 64 1HG ARG 64 -11.460 -0.341 8.199 461 1HD ARG 64 2HD ARG 64 -12.504 -1.231 6.092 462 2HD ARG 64 1HD ARG 64 -11.910 -2.825 6.561 463 HE ARG 64 HE ARG 64 -13.675 -2.975 7.981 464 1HH1 ARG 64 1HH1 ARG 64 -13.054 0.411 7.402 465 2HH1 ARG 64 2HH1 ARG 64 -14.364 0.947 8.400 466 1HH2 ARG 64 1HH2 ARG 64 -15.399 -2.268 9.291 467 2HH2 ARG 64 2HH2 ARG 64 -15.695 -0.570 9.469 468 H THR 65 H THR 65 -10.452 -4.180 5.431 469 HA THR 65 HA THR 65 -11.296 -3.515 2.754 470 HB THR 65 HB THR 65 -11.784 -5.992 4.412 471 HG1 THR 65 1HG THR 65 -9.567 -5.482 3.831 472 1HG2 THR 65 1HG2 THR 65 -13.339 -6.329 2.797 473 2HG2 THR 65 2HG2 THR 65 -11.913 -6.934 1.957 474 3HG2 THR 65 3HG2 THR 65 -12.508 -5.308 1.626 475 HA PRO 66 HA PRO 66 -15.207 -1.622 3.722 476 1HB PRO 66 2HB PRO 66 -15.982 -3.185 1.287 477 2HB PRO 66 1HB PRO 66 -16.334 -1.502 1.700 478 1HG PRO 66 2HG PRO 66 -14.404 -2.087 -0.031 479 2HG PRO 66 1HG PRO 66 -14.196 -0.782 1.151 480 1HD PRO 66 2HD PRO 66 -12.983 -3.493 1.090 481 2HD PRO 66 1HD PRO 66 -12.338 -1.980 1.758 482 H GLN 67 H GLN 67 -14.811 -5.059 3.158 483 HA GLN 67 HA GLN 67 -17.386 -5.924 3.844 484 1HB GLN 67 2HB GLN 67 -15.728 -7.394 2.802 485 2HB GLN 67 1HB GLN 67 -14.735 -7.321 4.250 486 1HG GLN 67 2HG GLN 67 -16.504 -8.422 5.522 487 2HG GLN 67 1HG GLN 67 -17.503 -8.490 4.073 488 1HE2 GLN 67 1HE2 GLN 67 -14.412 -8.944 3.034 489 2HE2 GLN 67 2HE2 GLN 67 -14.346 -10.668 3.075 490 H GLY 68 H GLY 68 -14.966 -4.479 5.753 491 1HA GLY 68 2HA GLY 68 -15.501 -3.690 7.943 492 2HA GLY 68 1HA GLY 68 -16.512 -5.108 8.169 493 H GLU 69 H GLU 69 -13.337 -5.370 6.760 494 HA GLU 69 HA GLU 69 -12.345 -6.471 9.310 495 1HB GLU 69 2HB GLU 69 -11.150 -8.218 8.055 496 2HB GLU 69 1HB GLU 69 -12.893 -8.328 7.846 497 1HG GLU 69 2HG GLU 69 -12.705 -7.245 5.669 498 2HG GLU 69 1HG GLU 69 -10.958 -7.128 5.879 499 H LEU 70 H LEU 70 -10.094 -6.370 9.665 500 HA LEU 70 HA LEU 70 -8.721 -4.318 8.055 501 1HB LEU 70 2HB LEU 70 -8.752 -4.865 10.998 502 2HB LEU 70 1HB LEU 70 -7.355 -4.096 10.272 503 HG LEU 70 HG LEU 70 -10.158 -3.007 10.029 504 1HD1 LEU 70 1HD1 LEU 70 -7.976 -2.156 11.935 505 2HD1 LEU 70 2HD1 LEU 70 -9.406 -3.085 12.389 506 3HD1 LEU 70 3HD1 LEU 70 -9.580 -1.440 11.776 507 1HD2 LEU 70 1HD2 LEU 70 -7.514 -1.615 9.653 508 2HD2 LEU 70 2HD2 LEU 70 -9.120 -1.041 9.207 509 3HD2 LEU 70 3HD2 LEU 70 -8.387 -2.385 8.329 510 H VAL 71 H VAL 71 -6.504 -4.583 7.628 511 HA VAL 71 HA VAL 71 -5.345 -7.194 8.303 512 HB VAL 71 HB VAL 71 -5.332 -6.028 5.520 513 1HG1 VAL 71 1HG1 VAL 71 -4.412 -8.378 5.018 514 2HG1 VAL 71 2HG1 VAL 71 -4.042 -8.443 6.741 515 3HG1 VAL 71 3HG1 VAL 71 -3.322 -7.190 5.731 516 1HG2 VAL 71 1HG2 VAL 71 -6.782 -8.442 6.600 517 2HG2 VAL 71 2HG2 VAL 71 -6.732 -7.940 4.910 518 3HG2 VAL 71 3HG2 VAL 71 -7.525 -6.920 6.110 519 H GLU 72 H GLU 72 -3.168 -7.183 8.646 520 HA GLU 72 HA GLU 72 -1.881 -4.553 8.588 521 1HB GLU 72 2HB GLU 72 -0.268 -5.512 10.183 522 2HB GLU 72 1HB GLU 72 -1.922 -5.639 10.767 523 1HG GLU 72 2HG GLU 72 -1.986 -7.982 10.075 524 2HG GLU 72 1HG GLU 72 -0.326 -7.852 9.493 525 H ILE 73 H ILE 73 -0.147 -4.129 7.340 526 HA ILE 73 HA ILE 73 1.174 -6.378 5.985 527 HB ILE 73 HB ILE 73 0.414 -3.788 4.624 528 1HG1 ILE 73 2HG1 ILE 73 -0.991 -5.456 3.206 529 2HG1 ILE 73 1HG1 ILE 73 -0.854 -6.515 4.605 530 1HG2 ILE 73 1HG2 ILE 73 1.681 -4.392 2.884 531 2HG2 ILE 73 2HG2 ILE 73 1.189 -6.083 2.989 532 3HG2 ILE 73 3HG2 ILE 73 2.480 -5.474 4.026 533 1HD1 ILE 73 1HD1 ILE 73 -2.224 -3.855 4.402 534 2HD1 ILE 73 2HD1 ILE 73 -1.803 -4.567 5.955 535 3HD1 ILE 73 3HD1 ILE 73 -2.900 -5.415 4.869 536 H ASP 74 H ASP 74 3.360 -6.208 5.819 537 HA ASP 74 HA ASP 74 4.562 -3.850 7.077 538 1HB ASP 74 2HB ASP 74 5.746 -6.582 6.524 539 2HB ASP 74 1HB ASP 74 6.570 -5.263 7.351 540 H GLY 75 H GLY 75 4.826 -2.357 5.525 541 1HA GLY 75 2HA GLY 75 5.437 -2.769 2.844 542 2HA GLY 75 1HA GLY 75 5.737 -1.291 3.720 543 H ARG 76 H ARG 76 7.495 -3.230 5.513 544 HA ARG 76 HA ARG 76 9.942 -2.481 4.293 545 1HB ARG 76 2HB ARG 76 9.772 -2.650 6.711 546 2HB ARG 76 1HB ARG 76 9.358 -4.354 6.591 547 1HG ARG 76 2HG ARG 76 11.655 -4.105 7.277 548 2HG ARG 76 1HG ARG 76 11.585 -4.812 5.662 549 1HD ARG 76 2HD ARG 76 12.020 -2.590 4.694 550 2HD ARG 76 1HD ARG 76 12.137 -1.923 6.322 551 HE ARG 76 HE ARG 76 13.940 -4.048 6.117 552 1HH1 ARG 76 1HH1 ARG 76 13.472 -0.847 4.805 553 2HH1 ARG 76 2HH1 ARG 76 15.163 -0.564 4.563 554 1HH2 ARG 76 1HH2 ARG 76 16.164 -3.676 5.800 555 2HH2 ARG 76 2HH2 ARG 76 16.691 -2.170 5.129 556 H ALA 77 H ALA 77 7.892 -5.211 4.031 557 HA ALA 77 HA ALA 77 9.972 -6.833 2.820 558 1HB ALA 77 1HB ALA 77 8.796 -8.664 3.398 559 2HB ALA 77 2HB ALA 77 7.246 -7.919 3.007 560 3HB ALA 77 3HB ALA 77 8.038 -7.555 4.541 561 H LEU 78 H LEU 78 7.913 -4.502 1.797 562 HA LEU 78 HA LEU 78 7.142 -5.828 -0.684 563 1HB LEU 78 2HB LEU 78 6.461 -3.134 0.476 564 2HB LEU 78 1HB LEU 78 5.993 -3.623 -1.141 565 HG LEU 78 HG LEU 78 4.153 -3.917 0.441 566 1HD1 LEU 78 1HD1 LEU 78 4.320 -5.427 -1.473 567 2HD1 LEU 78 2HD1 LEU 78 3.610 -6.234 -0.077 568 3HD1 LEU 78 3HD1 LEU 78 5.290 -6.542 -0.511 569 1HD2 LEU 78 1HD2 LEU 78 6.003 -4.570 2.274 570 2HD2 LEU 78 2HD2 LEU 78 5.449 -6.180 1.815 571 3HD2 LEU 78 3HD2 LEU 78 4.297 -4.990 2.420 572 H VAL 79 H VAL 79 9.944 -5.124 -0.002 573 HA VAL 79 HA VAL 79 10.985 -2.953 -1.317 574 HB VAL 79 HB VAL 79 12.344 -4.539 -0.016 575 1HG1 VAL 79 1HG1 VAL 79 13.160 -6.603 -1.225 576 2HG1 VAL 79 2HG1 VAL 79 11.833 -6.351 -2.362 577 3HG1 VAL 79 3HG1 VAL 79 11.490 -6.649 -0.658 578 1HG2 VAL 79 1HG2 VAL 79 13.416 -4.346 -2.825 579 2HG2 VAL 79 2HG2 VAL 79 14.330 -4.380 -1.316 580 3HG2 VAL 79 3HG2 VAL 79 13.341 -2.975 -1.718 581 H ALA 80 H ALA 80 12.142 -2.865 -3.416 582 HA ALA 80 HA ALA 80 10.517 -3.123 -5.598 583 1HB ALA 80 1HB ALA 80 12.266 -2.318 -6.772 584 2HB ALA 80 2HB ALA 80 13.377 -3.541 -6.159 585 3HB ALA 80 3HB ALA 80 12.991 -2.130 -5.176 586 H ARG 81 H ARG 81 10.778 -4.577 -7.552 587 HA ARG 81 HA ARG 81 11.206 -7.339 -6.627 588 1HB ARG 81 2HB ARG 81 9.176 -6.260 -8.566 589 2HB ARG 81 1HB ARG 81 9.509 -7.976 -8.377 590 1HG ARG 81 2HG ARG 81 8.876 -7.830 -6.013 591 2HG ARG 81 1HG ARG 81 8.507 -6.119 -6.226 592 1HD ARG 81 2HD ARG 81 6.470 -7.441 -6.325 593 2HD ARG 81 1HD ARG 81 6.802 -6.710 -7.896 594 HE ARG 81 HE ARG 81 7.940 -9.242 -7.917 595 1HH1 ARG 81 1HH1 ARG 81 4.755 -7.840 -7.645 596 2HH1 ARG 81 2HH1 ARG 81 3.962 -9.186 -8.392 597 1HH2 ARG 81 1HH2 ARG 81 6.897 -11.014 -8.899 598 2HH2 ARG 81 2HH2 ARG 81 5.178 -10.987 -9.103 599 HA PRO 82 HA PRO 82 14.275 -7.258 -9.924 600 1HB PRO 82 2HB PRO 82 15.526 -9.537 -9.269 601 2HB PRO 82 1HB PRO 82 15.725 -8.061 -8.316 602 1HG PRO 82 2HG PRO 82 13.983 -10.439 -7.785 603 2HG PRO 82 1HG PRO 82 15.006 -9.528 -6.659 604 1HD PRO 82 2HD PRO 82 12.305 -9.165 -6.883 605 2HD PRO 82 1HD PRO 82 13.426 -7.897 -6.353 606 H GLU 83 H GLU 83 11.555 -9.128 -9.640 607 HA GLU 83 HA GLU 83 12.261 -10.909 -11.855 608 1HB GLU 83 2HB GLU 83 11.227 -11.951 -9.899 609 2HB GLU 83 1HB GLU 83 9.835 -10.889 -10.054 610 1HG GLU 83 2HG GLU 83 9.306 -11.893 -12.215 611 2HG GLU 83 1HG GLU 83 10.704 -12.956 -12.062 612 H GLU 84 H GLU 84 10.678 -7.963 -11.261 613 HA GLU 84 HA GLU 84 9.085 -8.221 -13.715 614 1HB GLU 84 2HB GLU 84 8.864 -6.253 -11.437 615 2HB GLU 84 1HB GLU 84 7.892 -6.188 -12.901 616 1HG GLU 84 2HG GLU 84 6.988 -8.413 -12.372 617 2HG GLU 84 1HG GLU 84 7.920 -8.415 -10.876 618 H ARG 85 H ARG 85 11.653 -6.367 -12.206 619 HA ARG 85 HA ARG 85 12.676 -5.480 -14.665 620 1HB ARG 85 2HB ARG 85 10.704 -4.047 -14.716 621 2HB ARG 85 1HB ARG 85 11.111 -3.398 -13.135 622 1HG ARG 85 2HG ARG 85 11.720 -1.802 -14.801 623 2HG ARG 85 1HG ARG 85 13.196 -2.474 -14.108 624 1HD ARG 85 2HD ARG 85 11.957 -3.475 -16.664 625 2HD ARG 85 1HD ARG 85 13.179 -2.205 -16.616 626 HE ARG 85 HE ARG 85 14.186 -4.378 -15.203 627 1HH1 ARG 85 1HH1 ARG 85 13.233 -3.614 -18.471 628 2HH1 ARG 85 2HH1 ARG 85 14.358 -4.717 -19.190 629 1HH2 ARG 85 1HH2 ARG 85 15.665 -5.828 -16.144 630 2HH2 ARG 85 2HH2 ARG 85 15.740 -5.975 -17.868 631 H ILE 86 H ILE 86 12.498 -5.105 -11.185 632 HA ILE 86 HA ILE 86 14.688 -3.445 -10.771 633 HB ILE 86 HB ILE 86 13.797 -5.701 -9.002 634 1HG1 ILE 86 2HG1 ILE 86 11.983 -4.159 -9.525 635 2HG1 ILE 86 1HG1 ILE 86 12.494 -3.964 -7.858 636 1HG2 ILE 86 1HG2 ILE 86 14.801 -4.261 -7.210 637 2HG2 ILE 86 2HG2 ILE 86 15.533 -3.298 -8.493 638 3HG2 ILE 86 3HG2 ILE 86 15.959 -5.001 -8.313 639 1HD1 ILE 86 1HD1 ILE 86 13.325 -2.181 -10.128 640 2HD1 ILE 86 2HD1 ILE 86 13.709 -1.960 -8.421 641 3HD1 ILE 86 3HD1 ILE 86 12.040 -1.830 -8.974 Start of MODEL 8 1 H ARG 9 H ARG 9 -10.771 -15.687 -3.322 2 HA ARG 9 HA ARG 9 -10.472 -13.289 -1.652 3 1HB ARG 9 2HB ARG 9 -8.280 -14.344 -1.796 4 2HB ARG 9 1HB ARG 9 -8.397 -14.398 -3.550 5 1HG ARG 9 2HG ARG 9 -8.388 -11.965 -3.637 6 2HG ARG 9 1HG ARG 9 -8.309 -11.894 -1.878 7 1HD ARG 9 2HD ARG 9 -6.229 -13.139 -3.675 8 2HD ARG 9 1HD ARG 9 -6.114 -11.544 -2.938 9 HE ARG 9 HE ARG 9 -5.583 -12.531 -0.931 10 1HH1 ARG 9 1HH1 ARG 9 -6.590 -14.993 -3.195 11 2HH1 ARG 9 2HH1 ARG 9 -6.201 -16.301 -2.131 12 1HH2 ARG 9 1HH2 ARG 9 -5.062 -14.251 0.457 13 2HH2 ARG 9 2HH2 ARG 9 -5.331 -15.881 -0.061 14 H HIS 10 H HIS 10 -11.084 -11.430 -2.583 15 HA HIS 10 HA HIS 10 -11.635 -11.436 -5.474 16 1HB HIS 10 2HB HIS 10 -13.744 -11.690 -4.263 17 2HB HIS 10 1HB HIS 10 -13.374 -10.275 -3.286 18 HD1 HIS 10 1HD HIS 10 -13.124 -7.975 -4.787 19 HD2 HIS 10 2HD HIS 10 -15.241 -11.142 -6.446 20 HE1 HIS 10 1HE HIS 10 -14.499 -6.970 -6.638 21 HE2 HIS 10 2HE HIS 10 -15.692 -8.923 -7.693 22 H GLU 11 H GLU 11 -9.567 -10.411 -5.673 23 HA GLU 11 HA GLU 11 -8.085 -8.686 -5.738 24 1HB GLU 11 2HB GLU 11 -9.028 -6.541 -6.499 25 2HB GLU 11 1HB GLU 11 -9.681 -7.909 -7.388 26 1HG GLU 11 2HG GLU 11 -11.725 -7.806 -6.133 27 2HG GLU 11 1HG GLU 11 -11.075 -6.528 -5.108 28 H LEU 12 H LEU 12 -7.951 -6.133 -4.928 29 HA LEU 12 HA LEU 12 -8.707 -6.108 -2.092 30 1HB LEU 12 2HB LEU 12 -6.374 -6.988 -2.401 31 2HB LEU 12 1HB LEU 12 -5.938 -5.434 -3.082 32 HG LEU 12 HG LEU 12 -6.505 -4.348 -0.937 33 1HD1 LEU 12 1HD1 LEU 12 -6.832 -5.799 1.048 34 2HD1 LEU 12 2HD1 LEU 12 -7.000 -7.180 -0.035 35 3HD1 LEU 12 3HD1 LEU 12 -8.172 -5.864 -0.098 36 1HD2 LEU 12 1HD2 LEU 12 -4.622 -5.350 0.374 37 2HD2 LEU 12 2HD2 LEU 12 -4.218 -4.914 -1.287 38 3HD2 LEU 12 3HD2 LEU 12 -4.510 -6.603 -0.865 39 H ILE 13 H ILE 13 -9.308 -4.624 -4.762 40 HA ILE 13 HA ILE 13 -8.574 -1.902 -4.033 41 HB ILE 13 HB ILE 13 -10.167 -2.882 -6.407 42 1HG1 ILE 13 2HG1 ILE 13 -7.880 -3.759 -6.434 43 2HG1 ILE 13 1HG1 ILE 13 -8.088 -2.537 -7.682 44 1HG2 ILE 13 1HG2 ILE 13 -8.987 -0.198 -5.721 45 2HG2 ILE 13 2HG2 ILE 13 -10.682 -0.596 -6.011 46 3HG2 ILE 13 3HG2 ILE 13 -9.526 -0.640 -7.342 47 1HD1 ILE 13 1HD1 ILE 13 -6.031 -2.020 -6.775 48 2HD1 ILE 13 2HD1 ILE 13 -6.549 -2.385 -5.130 49 3HD1 ILE 13 3HD1 ILE 13 -7.115 -0.917 -5.928 50 H GLY 14 H GLY 14 -10.069 -0.255 -3.600 51 1HA GLY 14 2HA GLY 14 -12.367 0.505 -3.429 52 2HA GLY 14 1HA GLY 14 -12.830 -1.148 -3.060 53 H LEU 15 H LEU 15 -10.169 -0.973 -1.325 54 HA LEU 15 HA LEU 15 -11.571 0.110 1.022 55 1HB LEU 15 2HB LEU 15 -9.914 -1.354 2.298 56 2HB LEU 15 1HB LEU 15 -11.220 -2.150 1.442 57 HG LEU 15 HG LEU 15 -9.691 -2.749 -0.372 58 1HD1 LEU 15 1HD1 LEU 15 -8.145 -0.924 -0.320 59 2HD1 LEU 15 2HD1 LEU 15 -7.254 -2.416 -0.037 60 3HD1 LEU 15 3HD1 LEU 15 -7.628 -1.344 1.313 61 1HD2 LEU 15 1HD2 LEU 15 -9.315 -3.595 2.419 62 2HD2 LEU 15 2HD2 LEU 15 -8.014 -4.035 1.311 63 3HD2 LEU 15 3HD2 LEU 15 -9.669 -4.549 0.977 64 H SER 16 H SER 16 -10.106 0.930 2.771 65 HA SER 16 HA SER 16 -8.261 2.842 1.595 66 1HB SER 16 2HB SER 16 -9.256 2.552 4.443 67 2HB SER 16 1HB SER 16 -8.266 3.881 3.838 68 HG SER 16 HG SER 16 -10.956 3.287 3.342 69 H VAL 17 H VAL 17 -6.142 3.237 2.555 70 HA VAL 17 HA VAL 17 -4.943 0.867 3.816 71 HB VAL 17 HB VAL 17 -3.626 2.444 1.607 72 1HG1 VAL 17 1HG1 VAL 17 -2.864 -0.181 2.877 73 2HG1 VAL 17 2HG1 VAL 17 -2.109 1.376 3.222 74 3HG1 VAL 17 3HG1 VAL 17 -1.978 0.669 1.610 75 1HG2 VAL 17 1HG2 VAL 17 -5.265 -0.056 1.523 76 2HG2 VAL 17 2HG2 VAL 17 -3.968 0.201 0.356 77 3HG2 VAL 17 3HG2 VAL 17 -5.309 1.346 0.451 78 H ARG 18 H ARG 18 -4.339 1.581 5.770 79 HA ARG 18 HA ARG 18 -3.371 4.313 6.086 80 1HB ARG 18 2HB ARG 18 -4.092 2.167 8.079 81 2HB ARG 18 1HB ARG 18 -3.391 3.710 8.543 82 1HG ARG 18 2HG ARG 18 -5.791 3.745 8.828 83 2HG ARG 18 1HG ARG 18 -5.306 4.875 7.564 84 1HD ARG 18 2HD ARG 18 -5.983 3.315 5.851 85 2HD ARG 18 1HD ARG 18 -6.345 2.087 7.062 86 HE ARG 18 HE ARG 18 -8.057 4.163 6.203 87 1HH1 ARG 18 1HH1 ARG 18 -7.124 2.395 9.066 88 2HH1 ARG 18 2HH1 ARG 18 -8.614 2.703 9.891 89 1HH2 ARG 18 1HH2 ARG 18 -10.019 4.561 7.286 90 2HH2 ARG 18 2HH2 ARG 18 -10.259 3.929 8.881 91 H ILE 19 H ILE 19 -1.291 4.795 6.086 92 HA ILE 19 HA ILE 19 0.682 2.659 6.331 93 HB ILE 19 HB ILE 19 0.990 5.537 5.459 94 1HG1 ILE 19 2HG1 ILE 19 1.429 4.555 3.236 95 2HG1 ILE 19 1HG1 ILE 19 1.109 2.953 3.887 96 1HG2 ILE 19 1HG2 ILE 19 2.971 3.435 6.078 97 2HG2 ILE 19 2HG2 ILE 19 3.108 5.191 6.170 98 3HG2 ILE 19 3HG2 ILE 19 3.249 4.376 4.613 99 1HD1 ILE 19 1HD1 ILE 19 -0.963 5.121 4.005 100 2HD1 ILE 19 2HD1 ILE 19 -1.184 3.376 4.113 101 3HD1 ILE 19 3HD1 ILE 19 -0.760 4.116 2.569 102 H ALA 20 H ALA 20 1.765 2.324 8.153 103 HA ALA 20 HA ALA 20 1.530 4.222 10.335 104 1HB ALA 20 1HB ALA 20 1.655 2.430 11.645 105 2HB ALA 20 2HB ALA 20 3.185 1.934 10.923 106 3HB ALA 20 3HB ALA 20 1.662 1.445 10.183 107 H ARG 21 H ARG 21 3.838 3.261 7.980 108 HA ARG 21 HA ARG 21 5.621 5.350 8.706 109 1HB ARG 21 2HB ARG 21 6.312 3.692 10.376 110 2HB ARG 21 1HB ARG 21 6.582 2.515 9.101 111 1HG ARG 21 2HG ARG 21 8.683 3.435 9.808 112 2HG ARG 21 1HG ARG 21 8.333 3.966 8.162 113 1HD ARG 21 2HD ARG 21 9.203 5.818 9.474 114 2HD ARG 21 1HD ARG 21 7.521 6.114 9.040 115 HE ARG 21 HE ARG 21 7.049 6.207 11.259 116 1HH1 ARG 21 1HH1 ARG 21 9.979 4.350 10.866 117 2HH1 ARG 21 2HH1 ARG 21 10.198 4.102 12.563 118 1HH2 ARG 21 1HH2 ARG 21 7.339 5.882 13.495 119 2HH2 ARG 21 2HH2 ARG 21 8.702 4.973 14.056 120 H SER 22 H SER 22 7.183 5.751 7.119 121 HA SER 22 HA SER 22 7.168 4.007 4.770 122 1HB SER 22 2HB SER 22 5.459 5.730 4.354 123 2HB SER 22 1HB SER 22 6.664 6.988 4.636 124 HG SER 22 HG SER 22 6.126 5.808 2.367 125 H VAL 23 H VAL 23 8.873 4.613 3.185 126 HA VAL 23 HA VAL 23 11.385 4.687 4.348 127 HB VAL 23 HB VAL 23 11.003 3.878 2.072 128 1HG1 VAL 23 1HG1 VAL 23 9.375 5.660 1.440 129 2HG1 VAL 23 2HG1 VAL 23 10.610 5.347 0.219 130 3HG1 VAL 23 3HG1 VAL 23 10.735 6.768 1.255 131 1HG2 VAL 23 1HG2 VAL 23 12.987 4.863 1.009 132 2HG2 VAL 23 2HG2 VAL 23 13.268 4.500 2.712 133 3HG2 VAL 23 3HG2 VAL 23 12.973 6.163 2.201 134 H HIS 24 H HIS 24 9.558 7.362 2.871 135 HA HIS 24 HA HIS 24 11.560 9.238 3.925 136 1HB HIS 24 2HB HIS 24 10.694 9.144 1.421 137 2HB HIS 24 1HB HIS 24 9.380 10.109 2.079 138 HD1 HIS 24 1HD HIS 24 10.737 12.084 3.852 139 HD2 HIS 24 2HD HIS 24 12.385 10.869 0.241 140 HE1 HIS 24 1HE HIS 24 12.307 13.927 3.179 141 HE2 HIS 24 2HE HIS 24 13.364 13.125 1.038 142 H ARG 25 H ARG 25 11.022 10.763 5.411 143 HA ARG 25 HA ARG 25 8.793 10.344 7.058 144 1HB ARG 25 2HB ARG 25 10.607 12.747 6.869 145 2HB ARG 25 1HB ARG 25 9.475 12.441 8.179 146 1HG ARG 25 2HG ARG 25 10.688 10.379 8.729 147 2HG ARG 25 1HG ARG 25 11.839 10.729 7.437 148 1HD ARG 25 2HD ARG 25 12.714 11.415 9.613 149 2HD ARG 25 1HD ARG 25 12.472 12.804 8.554 150 HE ARG 25 HE ARG 25 10.168 12.467 10.102 151 1HH1 ARG 25 1HH1 ARG 25 13.521 13.347 10.504 152 2HH1 ARG 25 2HH1 ARG 25 13.222 14.350 11.884 153 1HH2 ARG 25 1HH2 ARG 25 9.773 13.786 11.917 154 2HH2 ARG 25 2HH2 ARG 25 11.095 14.598 12.687 155 H ASP 26 H ASP 26 8.972 12.052 4.117 156 HA ASP 26 HA ASP 26 6.888 13.924 4.743 157 1HB ASP 26 2HB ASP 26 7.071 14.629 2.417 158 2HB ASP 26 1HB ASP 26 8.667 14.518 3.152 159 H ILE 27 H ILE 27 6.855 10.680 4.125 160 HA ILE 27 HA ILE 27 4.104 10.819 3.178 161 HB ILE 27 HB ILE 27 4.499 8.766 1.819 162 1HG1 ILE 27 2HG1 ILE 27 7.406 9.452 2.315 163 2HG1 ILE 27 1HG1 ILE 27 6.563 8.047 2.955 164 1HG2 ILE 27 1HG2 ILE 27 5.803 11.379 1.168 165 2HG2 ILE 27 2HG2 ILE 27 4.307 10.689 0.540 166 3HG2 ILE 27 3HG2 ILE 27 5.864 10.035 0.026 167 1HD1 ILE 27 1HD1 ILE 27 7.980 7.549 0.994 168 2HD1 ILE 27 2HD1 ILE 27 6.954 8.606 0.025 169 3HD1 ILE 27 3HD1 ILE 27 6.281 7.146 0.747 170 H GLN 28 H GLN 28 6.034 9.878 5.640 171 HA GLN 28 HA GLN 28 4.890 7.292 6.141 172 1HB GLN 28 2HB GLN 28 6.210 7.293 8.174 173 2HB GLN 28 1HB GLN 28 7.202 7.811 6.818 174 1HG GLN 28 2HG GLN 28 6.956 10.130 7.505 175 2HG GLN 28 1HG GLN 28 5.922 9.633 8.842 176 1HE2 GLN 28 1HE2 GLN 28 6.930 9.660 10.705 177 2HE2 GLN 28 2HE2 GLN 28 8.589 9.266 10.980 178 H GLY 29 H GLY 29 3.603 6.752 7.983 179 1HA GLY 29 2HA GLY 29 1.836 7.036 9.416 180 2HA GLY 29 1HA GLY 29 2.504 8.624 9.763 181 H ILE 30 H ILE 30 1.746 8.014 6.477 182 HA ILE 30 HA ILE 30 -0.534 9.807 6.697 183 HB ILE 30 HB ILE 30 1.000 9.027 4.219 184 1HG1 ILE 30 2HG1 ILE 30 2.413 10.281 5.782 185 2HG1 ILE 30 1HG1 ILE 30 2.019 11.262 4.372 186 1HG2 ILE 30 1HG2 ILE 30 -0.178 11.364 3.615 187 2HG2 ILE 30 2HG2 ILE 30 -1.375 10.703 4.729 188 3HG2 ILE 30 3HG2 ILE 30 -0.913 9.793 3.291 189 1HD1 ILE 30 1HD1 ILE 30 1.892 12.577 6.411 190 2HD1 ILE 30 2HD1 ILE 30 0.711 11.451 7.082 191 3HD1 ILE 30 3HD1 ILE 30 0.298 12.425 5.670 192 H SER 31 H SER 31 -2.554 9.141 6.273 193 HA SER 31 HA SER 31 -2.940 6.368 5.443 194 1HB SER 31 2HB SER 31 -5.292 6.725 6.121 195 2HB SER 31 1HB SER 31 -4.173 7.134 7.421 196 HG SER 31 HG SER 31 -5.655 8.779 7.275 197 H GLY 32 H GLY 32 -4.066 5.771 3.580 198 1HA GLY 32 2HA GLY 32 -5.171 7.865 1.891 199 2HA GLY 32 1HA GLY 32 -3.745 7.057 1.261 200 H ARG 33 H ARG 33 -5.715 6.847 -0.339 201 HA ARG 33 HA ARG 33 -7.199 4.412 0.255 202 1HB ARG 33 2HB ARG 33 -7.614 6.610 -1.725 203 2HB ARG 33 1HB ARG 33 -8.425 5.062 -1.897 204 1HG ARG 33 2HG ARG 33 -9.751 6.833 -0.726 205 2HG ARG 33 1HG ARG 33 -9.577 5.306 0.138 206 1HD ARG 33 2HD ARG 33 -7.864 6.250 1.545 207 2HD ARG 33 1HD ARG 33 -7.874 7.750 0.623 208 HE ARG 33 HE ARG 33 -10.456 7.286 1.604 209 1HH1 ARG 33 1HH1 ARG 33 -7.267 8.076 2.779 210 2HH1 ARG 33 2HH1 ARG 33 -7.852 8.927 4.169 211 1HH2 ARG 33 1HH2 ARG 33 -11.230 8.409 3.433 212 2HH2 ARG 33 2HH2 ARG 33 -10.101 9.116 4.541 213 H VAL 34 H VAL 34 -7.611 2.999 -1.761 214 HA VAL 34 HA VAL 34 -4.936 2.264 -2.731 215 HB VAL 34 HB VAL 34 -6.170 0.601 -1.403 216 1HG1 VAL 34 1HG1 VAL 34 -8.127 -0.490 -2.231 217 2HG1 VAL 34 2HG1 VAL 34 -8.053 0.405 -3.748 218 3HG1 VAL 34 3HG1 VAL 34 -8.432 1.247 -2.245 219 1HG2 VAL 34 1HG2 VAL 34 -6.041 -0.617 -4.103 220 2HG2 VAL 34 2HG2 VAL 34 -5.330 -1.154 -2.581 221 3HG2 VAL 34 3HG2 VAL 34 -4.579 0.157 -3.490 222 H VAL 35 H VAL 35 -4.451 1.779 -4.868 223 HA VAL 35 HA VAL 35 -6.604 2.005 -6.815 224 HB VAL 35 HB VAL 35 -5.484 4.254 -6.701 225 1HG1 VAL 35 1HG1 VAL 35 -3.262 3.129 -8.284 226 2HG1 VAL 35 2HG1 VAL 35 -3.185 3.140 -6.527 227 3HG1 VAL 35 3HG1 VAL 35 -3.374 4.650 -7.402 228 1HG2 VAL 35 1HG2 VAL 35 -6.814 3.604 -8.604 229 2HG2 VAL 35 2HG2 VAL 35 -5.439 2.746 -9.301 230 3HG2 VAL 35 3HG2 VAL 35 -5.399 4.503 -9.153 231 H ASP 36 H ASP 36 -3.129 1.324 -6.360 232 HA ASP 36 HA ASP 36 -3.412 -1.187 -7.704 233 1HB ASP 36 2HB ASP 36 -1.691 0.968 -8.947 234 2HB ASP 36 1HB ASP 36 -1.701 -0.723 -9.436 235 H GLU 37 H GLU 37 -1.265 -2.344 -7.819 236 HA GLU 37 HA GLU 37 0.556 -1.459 -5.683 237 1HB GLU 37 2HB GLU 37 -0.894 -3.234 -4.798 238 2HB GLU 37 1HB GLU 37 -0.442 -4.280 -6.138 239 1HG GLU 37 2HG GLU 37 1.873 -4.282 -5.359 240 2HG GLU 37 1HG GLU 37 1.420 -3.233 -4.016 241 H THR 38 H THR 38 2.640 -1.384 -6.325 242 HA THR 38 HA THR 38 3.354 -2.883 -8.761 243 HB THR 38 HB THR 38 4.561 -0.300 -7.768 244 HG1 THR 38 1HG THR 38 3.295 0.714 -9.203 245 1HG2 THR 38 1HG2 THR 38 4.814 -1.391 -10.537 246 2HG2 THR 38 2HG2 THR 38 5.946 -1.859 -9.269 247 3HG2 THR 38 3HG2 THR 38 5.787 -0.164 -9.726 248 H ARG 39 H ARG 39 5.388 -3.831 -8.891 249 HA ARG 39 HA ARG 39 6.324 -5.172 -6.672 250 1HB ARG 39 2HB ARG 39 8.294 -5.730 -8.026 251 2HB ARG 39 1HB ARG 39 6.809 -5.869 -8.958 252 1HG ARG 39 2HG ARG 39 7.245 -3.687 -9.976 253 2HG ARG 39 1HG ARG 39 8.741 -3.562 -9.052 254 1HD ARG 39 2HD ARG 39 9.582 -5.583 -10.162 255 2HD ARG 39 1HD ARG 39 8.091 -5.683 -11.098 256 HE ARG 39 HE ARG 39 9.227 -3.154 -11.492 257 1HH1 ARG 39 1HH1 ARG 39 9.862 -6.500 -12.251 258 2HH1 ARG 39 2HH1 ARG 39 10.741 -6.136 -13.697 259 1HH2 ARG 39 1HH2 ARG 39 10.384 -2.673 -13.393 260 2HH2 ARG 39 2HH2 ARG 39 11.038 -3.961 -14.345 261 H ASN 40 H ASN 40 7.033 -1.919 -7.644 262 HA ASN 40 HA ASN 40 8.959 -1.764 -5.434 263 1HB ASN 40 2HB ASN 40 10.342 -0.195 -6.719 264 2HB ASN 40 1HB ASN 40 10.252 -1.778 -7.474 265 1HD2 ASN 40 1HD2 ASN 40 7.333 -0.238 -8.032 266 2HD2 ASN 40 2HD2 ASN 40 7.689 0.427 -9.576 267 H THR 41 H THR 41 6.006 -0.751 -6.287 268 HA THR 41 HA THR 41 6.192 1.521 -4.532 269 HB THR 41 HB THR 41 6.849 2.578 -6.640 270 HG1 THR 41 1HG THR 41 5.518 4.257 -6.399 271 1HG2 THR 41 1HG2 THR 41 5.219 2.844 -8.456 272 2HG2 THR 41 2HG2 THR 41 4.185 1.646 -7.676 273 3HG2 THR 41 3HG2 THR 41 5.779 1.182 -8.276 274 H LEU 42 H LEU 42 4.063 2.519 -4.125 275 HA LEU 42 HA LEU 42 1.885 0.578 -4.533 276 1HB LEU 42 2HB LEU 42 2.793 0.625 -2.226 277 2HB LEU 42 1HB LEU 42 2.371 2.315 -2.112 278 HG LEU 42 HG LEU 42 0.783 0.860 -0.936 279 1HD1 LEU 42 1HD1 LEU 42 -0.647 2.007 -3.311 280 2HD1 LEU 42 2HD1 LEU 42 0.145 3.049 -2.129 281 3HD1 LEU 42 3HD1 LEU 42 -1.154 1.968 -1.623 282 1HD2 LEU 42 1HD2 LEU 42 0.325 -0.284 -3.691 283 2HD2 LEU 42 2HD2 LEU 42 -0.773 -0.525 -2.333 284 3HD2 LEU 42 3HD2 LEU 42 0.880 -1.136 -2.250 285 H ARG 43 H ARG 43 0.223 1.381 -5.633 286 HA ARG 43 HA ARG 43 0.048 4.273 -5.958 287 1HB ARG 43 2HB ARG 43 -0.005 2.352 -7.802 288 2HB ARG 43 1HB ARG 43 -1.721 2.391 -7.444 289 1HG ARG 43 2HG ARG 43 -1.412 3.842 -9.270 290 2HG ARG 43 1HG ARG 43 -1.601 4.895 -7.867 291 1HD ARG 43 2HD ARG 43 0.807 5.171 -7.716 292 2HD ARG 43 1HD ARG 43 1.036 4.069 -9.073 293 HE ARG 43 HE ARG 43 -0.647 6.173 -9.868 294 1HH1 ARG 43 1HH1 ARG 43 2.686 5.578 -9.017 295 2HH1 ARG 43 2HH1 ARG 43 3.297 6.867 -9.998 296 1HH2 ARG 43 1HH2 ARG 43 0.155 7.868 -11.161 297 2HH2 ARG 43 2HH2 ARG 43 1.860 8.168 -11.215 298 H ILE 44 H ILE 44 -1.668 5.469 -5.271 299 HA ILE 44 HA ILE 44 -3.685 4.098 -3.608 300 HB ILE 44 HB ILE 44 -2.280 6.736 -3.284 301 1HG1 ILE 44 2HG1 ILE 44 -2.598 4.346 -1.463 302 2HG1 ILE 44 1HG1 ILE 44 -1.160 4.753 -2.393 303 1HG2 ILE 44 1HG2 ILE 44 -4.985 6.266 -2.577 304 2HG2 ILE 44 2HG2 ILE 44 -3.983 7.679 -2.255 305 3HG2 ILE 44 3HG2 ILE 44 -4.026 6.352 -1.099 306 1HD1 ILE 44 1HD1 ILE 44 -1.234 6.975 -1.071 307 2HD1 ILE 44 2HD1 ILE 44 -0.642 5.515 -0.279 308 3HD1 ILE 44 3HD1 ILE 44 -2.282 6.083 0.032 309 H GLU 45 H GLU 45 -5.802 4.307 -4.157 310 HA GLU 45 HA GLU 45 -6.621 6.769 -5.511 311 1HB GLU 45 2HB GLU 45 -6.678 5.293 -7.345 312 2HB GLU 45 1HB GLU 45 -7.354 3.979 -6.391 313 1HG GLU 45 2HG GLU 45 -9.458 5.204 -6.216 314 2HG GLU 45 1HG GLU 45 -8.766 6.525 -7.156 315 H MET 46 H MET 46 -8.405 7.642 -4.838 316 HA MET 46 HA MET 46 -9.797 6.439 -2.552 317 1HB MET 46 2HB MET 46 -9.780 9.307 -3.512 318 2HB MET 46 1HB MET 46 -10.471 8.719 -2.006 319 1HG MET 46 2HG MET 46 -8.376 8.314 -1.072 320 2HG MET 46 1HG MET 46 -7.564 8.385 -2.631 321 1HE MET 46 1HE MET 46 -6.279 9.791 -3.219 322 2HE MET 46 2HE MET 46 -5.645 10.863 -1.967 323 3HE MET 46 3HE MET 46 -6.521 11.537 -3.342 324 H ASP 47 H ASP 47 -11.902 5.918 -2.658 325 HA ASP 47 HA ASP 47 -13.273 5.489 -4.972 326 1HB ASP 47 2HB ASP 47 -13.969 4.577 -2.811 327 2HB ASP 47 1HB ASP 47 -14.470 6.181 -2.285 328 H ASP 48 H ASP 48 -12.961 8.484 -3.264 329 HA ASP 48 HA ASP 48 -15.120 9.886 -4.395 330 1HB ASP 48 2HB ASP 48 -12.456 10.932 -3.415 331 2HB ASP 48 1HB ASP 48 -13.872 11.924 -3.749 332 H GLY 49 H GLY 49 -12.292 8.705 -5.831 333 1HA GLY 49 2HA GLY 49 -12.022 8.755 -8.198 334 2HA GLY 49 1HA GLY 49 -12.821 10.320 -8.225 335 H ARG 50 H ARG 50 -10.422 9.666 -5.822 336 HA ARG 50 HA ARG 50 -8.624 11.569 -7.174 337 1HB ARG 50 2HB ARG 50 -8.754 10.766 -4.263 338 2HB ARG 50 1HB ARG 50 -7.622 11.923 -4.943 339 1HG ARG 50 2HG ARG 50 -9.482 13.375 -5.576 340 2HG ARG 50 1HG ARG 50 -10.620 12.211 -4.892 341 1HD ARG 50 2HD ARG 50 -9.567 12.502 -2.690 342 2HD ARG 50 1HD ARG 50 -8.465 13.692 -3.383 343 HE ARG 50 HE ARG 50 -11.080 14.506 -3.928 344 1HH1 ARG 50 1HH1 ARG 50 -8.964 14.085 -1.185 345 2HH1 ARG 50 2HH1 ARG 50 -9.729 15.321 -0.245 346 1HH2 ARG 50 1HH2 ARG 50 -12.089 16.133 -2.692 347 2HH2 ARG 50 2HH2 ARG 50 -11.505 16.483 -1.101 348 H GLU 51 H GLU 51 -6.399 11.123 -7.365 349 HA GLU 51 HA GLU 51 -5.585 8.387 -6.714 350 1HB GLU 51 2HB GLU 51 -4.689 8.024 -8.892 351 2HB GLU 51 1HB GLU 51 -6.329 8.624 -9.096 352 1HG GLU 51 2HG GLU 51 -3.843 10.293 -9.361 353 2HG GLU 51 1HG GLU 51 -4.757 9.604 -10.701 354 H ILE 52 H ILE 52 -3.508 8.140 -6.065 355 HA ILE 52 HA ILE 52 -1.471 10.118 -6.520 356 HB ILE 52 HB ILE 52 -2.665 11.141 -4.634 357 1HG1 ILE 52 2HG1 ILE 52 -0.734 11.359 -3.098 358 2HG1 ILE 52 1HG1 ILE 52 0.025 9.972 -3.877 359 1HG2 ILE 52 1HG2 ILE 52 -3.304 10.069 -2.762 360 2HG2 ILE 52 2HG2 ILE 52 -1.852 9.066 -2.711 361 3HG2 ILE 52 3HG2 ILE 52 -3.185 8.638 -3.786 362 1HD1 ILE 52 1HD1 ILE 52 0.985 12.044 -4.707 363 2HD1 ILE 52 2HD1 ILE 52 -0.615 12.618 -5.184 364 3HD1 ILE 52 3HD1 ILE 52 0.101 11.225 -5.997 365 H THR 53 H THR 53 0.634 9.317 -6.025 366 HA THR 53 HA THR 53 0.686 6.419 -5.573 367 HB THR 53 HB THR 53 1.669 7.234 -7.660 368 HG1 THR 53 1HG THR 53 3.595 6.253 -5.823 369 1HG2 THR 53 1HG2 THR 53 2.622 9.353 -6.254 370 2HG2 THR 53 2HG2 THR 53 3.160 8.871 -7.863 371 3HG2 THR 53 3HG2 THR 53 4.064 8.357 -6.439 372 H VAL 54 H VAL 54 2.318 5.456 -4.237 373 HA VAL 54 HA VAL 54 3.804 7.161 -2.420 374 HB VAL 54 HB VAL 54 1.767 5.210 -1.334 375 1HG1 VAL 54 1HG1 VAL 54 3.800 5.358 0.024 376 2HG1 VAL 54 2HG1 VAL 54 2.420 6.077 0.856 377 3HG1 VAL 54 3HG1 VAL 54 3.628 7.111 0.094 378 1HG2 VAL 54 1HG2 VAL 54 0.641 7.170 -2.177 379 2HG2 VAL 54 2HG2 VAL 54 1.787 8.229 -1.353 380 3HG2 VAL 54 3HG2 VAL 54 0.670 7.239 -0.414 381 HA PRO 55 HA PRO 55 6.550 3.681 -3.243 382 1HB PRO 55 2HB PRO 55 8.174 4.995 -1.137 383 2HB PRO 55 1HB PRO 55 8.617 4.553 -2.790 384 1HG PRO 55 2HG PRO 55 8.206 7.099 -2.121 385 2HG PRO 55 1HG PRO 55 7.675 6.470 -3.693 386 1HD PRO 55 2HD PRO 55 6.064 7.015 -1.228 387 2HD PRO 55 1HD PRO 55 5.665 7.337 -2.930 388 H LYS 56 H LYS 56 6.067 1.744 -2.397 389 HA LYS 56 HA LYS 56 5.687 1.498 0.500 390 1HB LYS 56 2HB LYS 56 4.684 -0.704 -0.011 391 2HB LYS 56 1HB LYS 56 3.847 0.637 -0.772 392 1HG LYS 56 2HG LYS 56 4.810 0.122 -2.897 393 2HG LYS 56 1HG LYS 56 5.883 -1.077 -2.176 394 1HD LYS 56 2HD LYS 56 2.869 -1.255 -2.199 395 2HD LYS 56 1HD LYS 56 3.934 -2.075 -3.340 396 1HE LYS 56 2HE LYS 56 4.989 -3.277 -1.488 397 2HE LYS 56 1HE LYS 56 3.924 -2.456 -0.348 398 1HZ LYS 56 1HZ LYS 56 3.393 -4.835 -1.390 399 2HZ LYS 56 2HZ LYS 56 2.615 -3.858 -2.530 400 3HZ LYS 56 3HZ LYS 56 2.188 -3.755 -0.898 401 H GLY 57 H GLY 57 8.189 1.103 -1.633 402 1HA GLY 57 2HA GLY 57 9.283 -1.380 -1.202 403 2HA GLY 57 1HA GLY 57 10.246 0.080 -1.364 404 H ILE 58 H ILE 58 8.908 1.165 1.104 405 HA ILE 58 HA ILE 58 9.808 -0.573 3.205 406 HB ILE 58 HB ILE 58 11.009 2.187 2.977 407 1HG1 ILE 58 2HG1 ILE 58 13.194 0.817 2.777 408 2HG1 ILE 58 1HG1 ILE 58 12.148 -0.518 2.303 409 1HG2 ILE 58 1HG2 ILE 58 12.154 1.755 4.961 410 2HG2 ILE 58 2HG2 ILE 58 11.857 0.019 4.866 411 3HG2 ILE 58 3HG2 ILE 58 10.537 1.118 5.258 412 1HD1 ILE 58 1HD1 ILE 58 13.128 1.666 0.742 413 2HD1 ILE 58 2HD1 ILE 58 11.364 1.667 0.741 414 3HD1 ILE 58 3HD1 ILE 58 12.245 0.229 0.229 415 H ALA 59 H ALA 59 7.304 -0.176 2.993 416 HA ALA 59 HA ALA 59 6.679 1.883 4.966 417 1HB ALA 59 1HB ALA 59 6.288 2.576 2.483 418 2HB ALA 59 2HB ALA 59 5.110 2.997 3.726 419 3HB ALA 59 3HB ALA 59 4.816 1.620 2.663 420 H VAL 60 H VAL 60 5.804 0.832 6.636 421 HA VAL 60 HA VAL 60 4.248 -1.573 6.288 422 HB VAL 60 HB VAL 60 5.656 -1.326 8.274 423 1HG1 VAL 60 1HG1 VAL 60 3.872 0.567 9.629 424 2HG1 VAL 60 2HG1 VAL 60 4.835 1.264 8.325 425 3HG1 VAL 60 3HG1 VAL 60 5.631 0.438 9.666 426 1HG2 VAL 60 1HG2 VAL 60 2.690 -1.473 8.781 427 2HG2 VAL 60 2HG2 VAL 60 3.907 -1.864 9.997 428 3HG2 VAL 60 3HG2 VAL 60 3.809 -2.810 8.512 429 H PHE 61 H PHE 61 2.075 -1.709 6.095 430 HA PHE 61 HA PHE 61 0.421 0.469 7.048 431 1HB PHE 61 2HB PHE 61 -0.734 0.588 4.760 432 2HB PHE 61 1HB PHE 61 0.811 1.405 4.948 433 HD1 PHE 61 1HD PHE 61 -0.282 -2.074 4.099 434 HD2 PHE 61 2HD PHE 61 2.132 1.286 3.104 435 HE1 PHE 61 1HE PHE 61 0.621 -3.298 2.164 436 HE2 PHE 61 2HE PHE 61 3.034 0.071 1.168 437 HZ PHE 61 HZ PHE 61 2.278 -2.224 0.695 438 H HIS 62 H HIS 62 -1.807 0.044 7.080 439 HA HIS 62 HA HIS 62 -2.485 -2.819 6.932 440 1HB HIS 62 2HB HIS 62 -3.436 -0.705 8.876 441 2HB HIS 62 1HB HIS 62 -4.111 -2.326 8.778 442 HD1 HIS 62 1HD HIS 62 -3.134 -1.887 11.430 443 HD2 HIS 62 2HD HIS 62 -0.480 -2.904 8.400 444 HE1 HIS 62 1HE HIS 62 -1.105 -2.808 12.594 445 HE2 HIS 62 2HE HIS 62 0.526 -3.321 10.745 446 H PHE 63 H PHE 63 -4.318 -3.375 5.839 447 HA PHE 63 HA PHE 63 -5.639 -1.235 4.359 448 1HB PHE 63 2HB PHE 63 -5.802 -4.242 4.071 449 2HB PHE 63 1HB PHE 63 -6.643 -3.089 3.041 450 HD1 PHE 63 1HD PHE 63 -5.702 -2.837 0.982 451 HD2 PHE 63 2HD PHE 63 -3.148 -3.515 4.313 452 HE1 PHE 63 1HE PHE 63 -3.745 -2.729 -0.504 453 HE2 PHE 63 2HE PHE 63 -1.190 -3.404 2.839 454 HZ PHE 63 HZ PHE 63 -1.483 -3.011 0.426 455 H ARG 64 H ARG 64 -7.386 -0.344 5.207 456 HA ARG 64 HA ARG 64 -9.075 -1.921 7.005 457 1HB ARG 64 2HB ARG 64 -8.199 0.298 7.749 458 2HB ARG 64 1HB ARG 64 -9.129 1.055 6.465 459 1HG ARG 64 2HG ARG 64 -10.443 -0.643 8.555 460 2HG ARG 64 1HG ARG 64 -10.096 1.063 8.830 461 1HD ARG 64 2HD ARG 64 -11.811 -0.088 6.632 462 2HD ARG 64 1HD ARG 64 -12.374 0.780 8.054 463 HE ARG 64 HE ARG 64 -10.559 2.396 6.642 464 1HH1 ARG 64 1HH1 ARG 64 -13.794 1.119 6.389 465 2HH1 ARG 64 2HH1 ARG 64 -14.366 2.420 5.398 466 1HH2 ARG 64 1HH2 ARG 64 -11.309 4.110 5.340 467 2HH2 ARG 64 2HH2 ARG 64 -12.956 4.119 4.804 468 H THR 65 H THR 65 -10.562 -3.041 5.907 469 HA THR 65 HA THR 65 -11.725 -2.062 3.464 470 HB THR 65 HB THR 65 -12.407 -4.498 5.120 471 HG1 THR 65 1HG THR 65 -10.790 -5.413 4.168 472 1HG2 THR 65 1HG2 THR 65 -13.962 -3.489 3.149 473 2HG2 THR 65 2HG2 THR 65 -13.847 -5.199 3.565 474 3HG2 THR 65 3HG2 THR 65 -12.888 -4.547 2.235 475 HA PRO 66 HA PRO 66 -15.068 0.361 5.094 476 1HB PRO 66 2HB PRO 66 -16.551 -0.942 2.851 477 2HB PRO 66 1HB PRO 66 -16.469 0.766 3.304 478 1HG PRO 66 2HG PRO 66 -15.064 -0.152 1.239 479 2HG PRO 66 1HG PRO 66 -14.378 1.058 2.341 480 1HD PRO 66 2HD PRO 66 -13.784 -1.848 2.109 481 2HD PRO 66 1HD PRO 66 -12.714 -0.508 2.567 482 H GLN 67 H GLN 67 -15.479 -3.048 4.310 483 HA GLN 67 HA GLN 67 -17.955 -3.466 5.567 484 1HB GLN 67 2HB GLN 67 -15.657 -5.392 5.185 485 2HB GLN 67 1HB GLN 67 -17.292 -5.850 5.641 486 1HG GLN 67 2HG GLN 67 -18.126 -4.962 3.519 487 2HG GLN 67 1HG GLN 67 -16.480 -4.526 3.063 488 1HE2 GLN 67 1HE2 GLN 67 -15.593 -5.898 1.712 489 2HE2 GLN 67 2HE2 GLN 67 -15.877 -7.601 1.648 490 H GLY 68 H GLY 68 -14.906 -2.754 6.902 491 1HA GLY 68 2HA GLY 68 -14.738 -2.169 9.219 492 2HA GLY 68 1HA GLY 68 -15.946 -3.394 9.577 493 H GLU 69 H GLU 69 -13.085 -3.736 7.534 494 HA GLU 69 HA GLU 69 -12.013 -5.664 9.494 495 1HB GLU 69 2HB GLU 69 -11.864 -5.827 6.479 496 2HB GLU 69 1HB GLU 69 -11.112 -6.956 7.598 497 1HG GLU 69 2HG GLU 69 -13.312 -7.605 8.429 498 2HG GLU 69 1HG GLU 69 -14.068 -6.468 7.315 499 H LEU 70 H LEU 70 -9.786 -5.699 9.807 500 HA LEU 70 HA LEU 70 -8.275 -3.545 8.485 501 1HB LEU 70 2HB LEU 70 -8.957 -2.972 10.820 502 2HB LEU 70 1HB LEU 70 -8.027 -4.346 11.385 503 HG LEU 70 HG LEU 70 -6.874 -2.158 11.652 504 1HD1 LEU 70 1HD1 LEU 70 -5.738 -4.443 11.294 505 2HD1 LEU 70 2HD1 LEU 70 -4.762 -2.983 11.134 506 3HD1 LEU 70 3HD1 LEU 70 -5.335 -3.822 9.694 507 1HD2 LEU 70 1HD2 LEU 70 -6.773 -2.216 8.637 508 2HD2 LEU 70 2HD2 LEU 70 -5.951 -1.058 9.681 509 3HD2 LEU 70 3HD2 LEU 70 -7.713 -1.090 9.615 510 H VAL 71 H VAL 71 -6.828 -4.502 7.230 511 HA VAL 71 HA VAL 71 -5.556 -6.996 8.114 512 HB VAL 71 HB VAL 71 -5.489 -5.703 5.382 513 1HG1 VAL 71 1HG1 VAL 71 -4.813 -8.119 4.772 514 2HG1 VAL 71 2HG1 VAL 71 -4.391 -8.263 6.477 515 3HG1 VAL 71 3HG1 VAL 71 -3.599 -7.050 5.474 516 1HG2 VAL 71 1HG2 VAL 71 -7.730 -6.607 6.318 517 2HG2 VAL 71 2HG2 VAL 71 -7.008 -8.193 6.051 518 3HG2 VAL 71 3HG2 VAL 71 -7.221 -7.083 4.697 519 H GLU 72 H GLU 72 -3.205 -7.238 7.718 520 HA GLU 72 HA GLU 72 -1.803 -4.660 8.014 521 1HB GLU 72 2HB GLU 72 -1.055 -7.284 9.315 522 2HB GLU 72 1HB GLU 72 -0.218 -5.751 9.510 523 1HG GLU 72 2HG GLU 72 -1.541 -6.103 11.445 524 2HG GLU 72 1HG GLU 72 -2.304 -4.820 10.507 525 H ILE 73 H ILE 73 0.166 -4.394 7.028 526 HA ILE 73 HA ILE 73 1.344 -6.568 5.497 527 HB ILE 73 HB ILE 73 0.461 -4.006 4.151 528 1HG1 ILE 73 2HG1 ILE 73 -1.388 -5.600 4.527 529 2HG1 ILE 73 1HG1 ILE 73 -1.009 -5.423 2.815 530 1HG2 ILE 73 1HG2 ILE 73 1.268 -5.309 2.090 531 2HG2 ILE 73 2HG2 ILE 73 2.155 -6.307 3.242 532 3HG2 ILE 73 3HG2 ILE 73 2.483 -4.577 3.138 533 1HD1 ILE 73 1HD1 ILE 73 -1.455 -7.775 3.750 534 2HD1 ILE 73 2HD1 ILE 73 0.173 -7.658 4.416 535 3HD1 ILE 73 3HD1 ILE 73 -0.078 -7.543 2.674 536 H ASP 74 H ASP 74 3.548 -6.262 5.123 537 HA ASP 74 HA ASP 74 4.679 -3.902 6.467 538 1HB ASP 74 2HB ASP 74 5.930 -6.615 5.985 539 2HB ASP 74 1HB ASP 74 6.702 -5.267 6.817 540 H GLY 75 H GLY 75 4.963 -2.426 4.901 541 1HA GLY 75 2HA GLY 75 5.789 -2.943 2.260 542 2HA GLY 75 1HA GLY 75 5.828 -1.383 3.057 543 H ARG 76 H ARG 76 7.585 -3.019 5.141 544 HA ARG 76 HA ARG 76 10.035 -2.027 4.127 545 1HB ARG 76 2HB ARG 76 9.490 -3.793 6.502 546 2HB ARG 76 1HB ARG 76 11.044 -3.055 6.141 547 1HG ARG 76 2HG ARG 76 9.863 -0.822 6.263 548 2HG ARG 76 1HG ARG 76 8.488 -1.698 6.939 549 1HD ARG 76 2HD ARG 76 9.930 -2.550 8.733 550 2HD ARG 76 1HD ARG 76 11.287 -1.645 8.064 551 HE ARG 76 HE ARG 76 10.475 0.225 9.081 552 1HH1 ARG 76 1HH1 ARG 76 7.907 -2.131 8.901 553 2HH1 ARG 76 2HH1 ARG 76 6.791 -1.166 9.807 554 1HH2 ARG 76 1HH2 ARG 76 9.004 1.499 10.264 555 2HH2 ARG 76 2HH2 ARG 76 7.409 0.898 10.573 556 H ALA 77 H ALA 77 9.168 -5.331 5.025 557 HA ALA 77 HA ALA 77 11.265 -6.304 3.277 558 1HB ALA 77 1HB ALA 77 9.731 -8.010 5.186 559 2HB ALA 77 2HB ALA 77 11.059 -6.980 5.724 560 3HB ALA 77 3HB ALA 77 11.354 -8.254 4.541 561 H LEU 78 H LEU 78 7.809 -6.585 3.731 562 HA LEU 78 HA LEU 78 7.209 -8.747 2.156 563 1HB LEU 78 2HB LEU 78 5.608 -7.302 3.472 564 2HB LEU 78 1HB LEU 78 5.612 -6.197 2.112 565 HG LEU 78 HG LEU 78 3.644 -7.705 2.161 566 1HD1 LEU 78 1HD1 LEU 78 3.514 -7.692 -0.075 567 2HD1 LEU 78 2HD1 LEU 78 5.003 -8.615 -0.271 568 3HD1 LEU 78 3HD1 LEU 78 5.074 -6.875 0.008 569 1HD2 LEU 78 1HD2 LEU 78 5.680 -9.864 1.634 570 2HD2 LEU 78 2HD2 LEU 78 3.930 -10.058 1.580 571 3HD2 LEU 78 3HD2 LEU 78 4.727 -9.675 3.105 572 H VAL 79 H VAL 79 8.271 -5.612 1.145 573 HA VAL 79 HA VAL 79 7.508 -5.655 -1.544 574 HB VAL 79 HB VAL 79 8.395 -3.646 -0.470 575 1HG1 VAL 79 1HG1 VAL 79 10.466 -5.349 0.356 576 2HG1 VAL 79 2HG1 VAL 79 10.288 -3.627 0.687 577 3HG1 VAL 79 3HG1 VAL 79 11.206 -4.163 -0.719 578 1HG2 VAL 79 1HG2 VAL 79 9.919 -4.613 -2.882 579 2HG2 VAL 79 2HG2 VAL 79 9.969 -2.950 -2.296 580 3HG2 VAL 79 3HG2 VAL 79 8.445 -3.643 -2.851 581 H ALA 80 H ALA 80 7.925 -7.239 -2.940 582 HA ALA 80 HA ALA 80 10.558 -8.549 -2.848 583 1HB ALA 80 1HB ALA 80 8.415 -9.768 -4.465 584 2HB ALA 80 2HB ALA 80 8.154 -9.751 -2.720 585 3HB ALA 80 3HB ALA 80 9.596 -10.517 -3.387 586 H ARG 81 H ARG 81 11.793 -8.753 -4.692 587 HA ARG 81 HA ARG 81 10.918 -7.125 -6.987 588 1HB ARG 81 2HB ARG 81 13.732 -7.659 -6.020 589 2HB ARG 81 1HB ARG 81 13.297 -6.685 -7.418 590 1HG ARG 81 2HG ARG 81 12.125 -5.114 -5.954 591 2HG ARG 81 1HG ARG 81 12.584 -6.086 -4.555 592 1HD ARG 81 2HD ARG 81 14.092 -4.198 -4.785 593 2HD ARG 81 1HD ARG 81 14.956 -5.705 -5.092 594 HE ARG 81 HE ARG 81 15.427 -4.915 -7.170 595 1HH1 ARG 81 1HH1 ARG 81 12.574 -3.264 -6.017 596 2HH1 ARG 81 2HH1 ARG 81 12.422 -2.278 -7.432 597 1HH2 ARG 81 1HH2 ARG 81 15.231 -3.613 -9.026 598 2HH2 ARG 81 2HH2 ARG 81 13.932 -2.474 -9.139 599 HA PRO 82 HA PRO 82 11.199 -11.127 -9.028 600 1HB PRO 82 2HB PRO 82 10.010 -10.410 -11.329 601 2HB PRO 82 1HB PRO 82 9.090 -10.647 -9.838 602 1HG PRO 82 2HG PRO 82 10.032 -8.100 -11.098 603 2HG PRO 82 1HG PRO 82 8.459 -8.471 -10.365 604 1HD PRO 82 2HD PRO 82 10.443 -7.104 -9.074 605 2HD PRO 82 1HD PRO 82 9.224 -8.085 -8.237 606 H GLU 83 H GLU 83 12.879 -8.294 -9.662 607 HA GLU 83 HA GLU 83 14.164 -9.333 -12.069 608 1HB GLU 83 2HB GLU 83 13.477 -6.989 -12.116 609 2HB GLU 83 1HB GLU 83 14.449 -6.663 -10.688 610 1HG GLU 83 2HG GLU 83 15.586 -5.881 -12.660 611 2HG GLU 83 1HG GLU 83 16.473 -7.228 -11.949 612 H GLU 84 H GLU 84 14.756 -8.709 -8.710 613 HA GLU 84 HA GLU 84 17.545 -9.581 -9.019 614 1HB GLU 84 2HB GLU 84 16.214 -8.123 -6.731 615 2HB GLU 84 1HB GLU 84 17.897 -8.630 -6.757 616 1HG GLU 84 2HG GLU 84 18.292 -7.189 -8.697 617 2HG GLU 84 1HG GLU 84 16.612 -6.661 -8.634 618 H ARG 85 H ARG 85 14.778 -11.068 -8.612 619 HA ARG 85 HA ARG 85 14.121 -13.046 -7.705 620 1HB ARG 85 2HB ARG 85 16.311 -13.837 -8.495 621 2HB ARG 85 1HB ARG 85 17.045 -13.312 -6.985 622 1HG ARG 85 2HG ARG 85 16.684 -15.700 -6.965 623 2HG ARG 85 1HG ARG 85 15.660 -14.918 -5.759 624 1HD ARG 85 2HD ARG 85 13.764 -15.028 -7.305 625 2HD ARG 85 1HD ARG 85 14.789 -15.813 -8.506 626 HE ARG 85 HE ARG 85 14.888 -17.308 -6.142 627 1HH1 ARG 85 1HH1 ARG 85 12.616 -16.466 -8.653 628 2HH1 ARG 85 2HH1 ARG 85 11.697 -17.923 -8.486 629 1HH2 ARG 85 1HH2 ARG 85 13.682 -19.227 -5.919 630 2HH2 ARG 85 2HH2 ARG 85 12.302 -19.492 -6.932 631 H ILE 86 H ILE 86 13.333 -13.838 -5.769 632 HA ILE 86 HA ILE 86 13.441 -12.025 -3.550 633 HB ILE 86 HB ILE 86 12.128 -14.744 -3.724 634 1HG1 ILE 86 2HG1 ILE 86 10.984 -11.978 -4.185 635 2HG1 ILE 86 1HG1 ILE 86 11.296 -13.178 -5.434 636 1HG2 ILE 86 1HG2 ILE 86 10.847 -14.103 -1.812 637 2HG2 ILE 86 2HG2 ILE 86 11.525 -12.474 -1.835 638 3HG2 ILE 86 3HG2 ILE 86 12.549 -13.851 -1.424 639 1HD1 ILE 86 1HD1 ILE 86 9.067 -13.490 -5.111 640 2HD1 ILE 86 2HD1 ILE 86 9.140 -13.072 -3.399 641 3HD1 ILE 86 3HD1 ILE 86 9.706 -14.650 -3.947 Start of MODEL 9 1 H ARG 9 H ARG 9 -7.451 -15.819 -9.239 2 HA ARG 9 HA ARG 9 -8.994 -13.525 -10.145 3 1HB ARG 9 2HB ARG 9 -9.877 -16.086 -8.806 4 2HB ARG 9 1HB ARG 9 -10.951 -14.852 -9.450 5 1HG ARG 9 2HG ARG 9 -10.087 -15.260 -11.693 6 2HG ARG 9 1HG ARG 9 -8.994 -16.487 -11.052 7 1HD ARG 9 2HD ARG 9 -10.985 -17.503 -12.032 8 2HD ARG 9 1HD ARG 9 -10.902 -17.807 -10.298 9 HE ARG 9 HE ARG 9 -12.435 -15.505 -10.722 10 1HH1 ARG 9 1HH1 ARG 9 -12.597 -18.941 -11.309 11 2HH1 ARG 9 2HH1 ARG 9 -14.326 -18.998 -11.234 12 1HH2 ARG 9 1HH2 ARG 9 -14.710 -15.579 -10.622 13 2HH2 ARG 9 2HH2 ARG 9 -15.525 -17.091 -10.846 14 H HIS 10 H HIS 10 -8.408 -11.867 -8.760 15 HA HIS 10 HA HIS 10 -9.850 -11.601 -6.380 16 1HB HIS 10 2HB HIS 10 -8.234 -13.219 -5.478 17 2HB HIS 10 1HB HIS 10 -6.907 -12.168 -5.958 18 HD1 HIS 10 1HD HIS 10 -7.272 -9.589 -4.807 19 HD2 HIS 10 2HD HIS 10 -8.809 -12.928 -2.867 20 HE1 HIS 10 1HE HIS 10 -7.600 -8.886 -2.415 21 HE2 HIS 10 2HE HIS 10 -8.605 -10.897 -1.279 22 H GLU 11 H GLU 11 -9.838 -9.500 -5.644 23 HA GLU 11 HA GLU 11 -7.924 -7.664 -6.920 24 1HB GLU 11 2HB GLU 11 -10.890 -7.198 -6.557 25 2HB GLU 11 1HB GLU 11 -9.744 -6.020 -7.181 26 1HG GLU 11 2HG GLU 11 -10.402 -8.663 -8.463 27 2HG GLU 11 1HG GLU 11 -11.040 -7.095 -8.954 28 H LEU 12 H LEU 12 -7.467 -5.733 -5.764 29 HA LEU 12 HA LEU 12 -8.238 -5.807 -2.920 30 1HB LEU 12 2HB LEU 12 -5.908 -6.574 -3.301 31 2HB LEU 12 1HB LEU 12 -5.543 -5.024 -4.033 32 HG LEU 12 HG LEU 12 -5.961 -3.897 -1.899 33 1HD1 LEU 12 1HD1 LEU 12 -6.401 -6.665 -0.792 34 2HD1 LEU 12 2HD1 LEU 12 -7.657 -5.455 -1.042 35 3HD1 LEU 12 3HD1 LEU 12 -6.369 -5.162 0.127 36 1HD2 LEU 12 1HD2 LEU 12 -3.741 -5.122 -2.576 37 2HD2 LEU 12 2HD2 LEU 12 -4.142 -6.148 -1.197 38 3HD2 LEU 12 3HD2 LEU 12 -3.930 -4.411 -0.974 39 H ILE 13 H ILE 13 -9.089 -4.237 -5.432 40 HA ILE 13 HA ILE 13 -8.408 -1.516 -4.652 41 HB ILE 13 HB ILE 13 -10.143 -2.488 -6.928 42 1HG1 ILE 13 2HG1 ILE 13 -7.261 -1.559 -6.910 43 2HG1 ILE 13 1HG1 ILE 13 -7.802 -3.218 -7.141 44 1HG2 ILE 13 1HG2 ILE 13 -9.343 0.198 -5.965 45 2HG2 ILE 13 2HG2 ILE 13 -10.826 -0.328 -6.761 46 3HG2 ILE 13 3HG2 ILE 13 -9.361 -0.065 -7.708 47 1HD1 ILE 13 1HD1 ILE 13 -8.844 -1.142 -8.984 48 2HD1 ILE 13 2HD1 ILE 13 -8.485 -2.844 -9.277 49 3HD1 ILE 13 3HD1 ILE 13 -7.171 -1.671 -9.169 50 H GLY 14 H GLY 14 -9.940 0.052 -4.062 51 1HA GLY 14 2HA GLY 14 -12.107 0.809 -3.493 52 2HA GLY 14 1HA GLY 14 -12.664 -0.858 -3.499 53 H LEU 15 H LEU 15 -9.748 -0.585 -1.835 54 HA LEU 15 HA LEU 15 -11.196 -0.549 0.728 55 1HB LEU 15 2HB LEU 15 -8.534 -1.804 0.053 56 2HB LEU 15 1HB LEU 15 -9.301 -1.835 1.629 57 HG LEU 15 HG LEU 15 -10.352 -3.146 -0.878 58 1HD1 LEU 15 1HD1 LEU 15 -9.642 -4.647 1.578 59 2HD1 LEU 15 2HD1 LEU 15 -8.323 -4.062 0.564 60 3HD1 LEU 15 3HD1 LEU 15 -9.551 -5.132 -0.115 61 1HD2 LEU 15 1HD2 LEU 15 -11.513 -2.738 1.843 62 2HD2 LEU 15 2HD2 LEU 15 -11.889 -4.208 0.942 63 3HD2 LEU 15 3HD2 LEU 15 -12.287 -2.629 0.262 64 H SER 16 H SER 16 -9.872 0.242 2.605 65 HA SER 16 HA SER 16 -8.490 2.709 1.808 66 1HB SER 16 2HB SER 16 -10.429 3.013 3.285 67 2HB SER 16 1HB SER 16 -9.711 1.924 4.473 68 HG SER 16 HG SER 16 -8.402 4.267 3.584 69 H VAL 17 H VAL 17 -6.598 3.377 3.083 70 HA VAL 17 HA VAL 17 -5.131 1.135 4.287 71 HB VAL 17 HB VAL 17 -3.844 3.051 2.354 72 1HG1 VAL 17 1HG1 VAL 17 -2.380 2.012 4.033 73 2HG1 VAL 17 2HG1 VAL 17 -1.996 1.489 2.394 74 3HG1 VAL 17 3HG1 VAL 17 -2.892 0.420 3.472 75 1HG2 VAL 17 1HG2 VAL 17 -3.780 0.731 1.022 76 2HG2 VAL 17 2HG2 VAL 17 -5.053 1.937 0.810 77 3HG2 VAL 17 3HG2 VAL 17 -5.321 0.545 1.862 78 H ARG 18 H ARG 18 -3.553 1.686 5.785 79 HA ARG 18 HA ARG 18 -3.347 4.521 6.521 80 1HB ARG 18 2HB ARG 18 -3.460 3.935 8.904 81 2HB ARG 18 1HB ARG 18 -4.945 3.511 8.067 82 1HG ARG 18 2HG ARG 18 -4.191 1.170 7.966 83 2HG ARG 18 1HG ARG 18 -2.750 1.619 8.878 84 1HD ARG 18 2HD ARG 18 -5.609 1.848 9.804 85 2HD ARG 18 1HD ARG 18 -4.419 0.673 10.360 86 HE ARG 18 HE ARG 18 -4.752 3.312 11.314 87 1HH1 ARG 18 1HH1 ARG 18 -2.274 0.966 10.581 88 2HH1 ARG 18 2HH1 ARG 18 -1.122 1.659 11.670 89 1HH2 ARG 18 1HH2 ARG 18 -3.240 4.219 12.750 90 2HH2 ARG 18 2HH2 ARG 18 -1.671 3.503 12.904 91 H ILE 19 H ILE 19 -1.295 4.969 6.050 92 HA ILE 19 HA ILE 19 0.772 2.963 6.398 93 HB ILE 19 HB ILE 19 0.981 5.784 5.339 94 1HG1 ILE 19 2HG1 ILE 19 1.242 4.649 3.129 95 2HG1 ILE 19 1HG1 ILE 19 0.849 3.119 3.907 96 1HG2 ILE 19 1HG2 ILE 19 3.124 4.481 4.336 97 2HG2 ILE 19 2HG2 ILE 19 2.981 3.710 5.915 98 3HG2 ILE 19 3HG2 ILE 19 3.157 5.461 5.803 99 1HD1 ILE 19 1HD1 ILE 19 -1.043 5.439 4.059 100 2HD1 ILE 19 2HD1 ILE 19 -1.382 3.718 4.233 101 3HD1 ILE 19 3HD1 ILE 19 -1.010 4.388 2.643 102 H ALA 20 H ALA 20 2.454 3.043 7.801 103 HA ALA 20 HA ALA 20 2.291 5.059 9.932 104 1HB ALA 20 1HB ALA 20 3.549 3.328 11.290 105 2HB ALA 20 2HB ALA 20 3.188 2.197 9.985 106 3HB ALA 20 3HB ALA 20 1.873 2.947 10.891 107 H ARG 21 H ARG 21 4.752 2.879 8.667 108 HA ARG 21 HA ARG 21 6.661 5.088 8.706 109 1HB ARG 21 2HB ARG 21 7.077 2.122 9.032 110 2HB ARG 21 1HB ARG 21 8.404 3.231 8.720 111 1HG ARG 21 2HG ARG 21 8.320 2.794 11.059 112 2HG ARG 21 1HG ARG 21 7.796 4.456 10.791 113 1HD ARG 21 2HD ARG 21 6.391 3.319 12.444 114 2HD ARG 21 1HD ARG 21 5.468 3.780 11.019 115 HE ARG 21 HE ARG 21 4.984 1.580 10.719 116 1HH1 ARG 21 1HH1 ARG 21 7.904 1.788 12.623 117 2HH1 ARG 21 2HH1 ARG 21 8.052 0.075 12.810 118 1HH2 ARG 21 1HH2 ARG 21 5.173 -0.675 10.977 119 2HH2 ARG 21 2HH2 ARG 21 6.502 -1.324 11.878 120 H SER 22 H SER 22 7.623 5.697 6.844 121 HA SER 22 HA SER 22 7.465 3.909 4.529 122 1HB SER 22 2HB SER 22 6.572 6.799 4.516 123 2HB SER 22 1HB SER 22 6.708 5.770 3.091 124 HG SER 22 HG SER 22 4.573 5.821 3.889 125 H VAL 23 H VAL 23 8.821 4.669 2.697 126 HA VAL 23 HA VAL 23 11.456 5.105 3.501 127 HB VAL 23 HB VAL 23 10.866 4.069 1.356 128 1HG1 VAL 23 1HG1 VAL 23 10.074 5.332 -0.517 129 2HG1 VAL 23 2HG1 VAL 23 10.174 6.840 0.393 130 3HG1 VAL 23 3HG1 VAL 23 8.980 5.619 0.837 131 1HG2 VAL 23 1HG2 VAL 23 13.107 5.028 1.689 132 2HG2 VAL 23 2HG2 VAL 23 12.543 6.554 1.008 133 3HG2 VAL 23 3HG2 VAL 23 12.599 5.108 0.002 134 H HIS 24 H HIS 24 9.113 7.402 2.108 135 HA HIS 24 HA HIS 24 10.992 9.590 2.484 136 1HB HIS 24 2HB HIS 24 9.527 9.397 0.442 137 2HB HIS 24 1HB HIS 24 8.145 9.733 1.476 138 HD1 HIS 24 1HD HIS 24 8.118 11.766 -0.443 139 HD2 HIS 24 2HD HIS 24 10.902 11.991 2.633 140 HE1 HIS 24 1HE HIS 24 8.843 14.172 -0.366 141 HE2 HIS 24 2HE HIS 24 10.475 14.299 1.550 142 H ARG 25 H ARG 25 11.018 10.885 4.185 143 HA ARG 25 HA ARG 25 9.508 10.407 6.491 144 1HB ARG 25 2HB ARG 25 11.738 11.461 6.468 145 2HB ARG 25 1HB ARG 25 11.045 12.893 5.723 146 1HG ARG 25 2HG ARG 25 11.330 13.350 8.032 147 2HG ARG 25 1HG ARG 25 9.601 13.151 7.744 148 1HD ARG 25 2HD ARG 25 10.295 12.015 9.790 149 2HD ARG 25 1HD ARG 25 9.717 10.863 8.586 150 HE ARG 25 HE ARG 25 12.459 11.031 8.259 151 1HH1 ARG 25 1HH1 ARG 25 10.256 10.107 10.801 152 2HH1 ARG 25 2HH1 ARG 25 11.328 8.924 11.472 153 1HH2 ARG 25 1HH2 ARG 25 13.872 9.480 9.141 154 2HH2 ARG 25 2HH2 ARG 25 13.383 8.570 10.530 155 H ASP 26 H ASP 26 8.656 12.152 3.687 156 HA ASP 26 HA ASP 26 6.772 13.847 5.075 157 1HB ASP 26 2HB ASP 26 7.450 13.669 2.143 158 2HB ASP 26 1HB ASP 26 6.362 14.852 2.861 159 H ILE 27 H ILE 27 6.742 10.797 3.549 160 HA ILE 27 HA ILE 27 3.881 10.991 3.047 161 HB ILE 27 HB ILE 27 4.032 8.995 1.718 162 1HG1 ILE 27 2HG1 ILE 27 6.933 8.918 2.578 163 2HG1 ILE 27 1HG1 ILE 27 5.681 7.766 3.017 164 1HG2 ILE 27 1HG2 ILE 27 5.782 9.782 0.025 165 2HG2 ILE 27 2HG2 ILE 27 6.077 11.112 1.145 166 3HG2 ILE 27 3HG2 ILE 27 4.477 10.894 0.436 167 1HD1 ILE 27 1HD1 ILE 27 6.681 8.243 0.218 168 2HD1 ILE 27 2HD1 ILE 27 5.504 7.031 0.722 169 3HD1 ILE 27 3HD1 ILE 27 7.176 6.915 1.269 170 H GLN 28 H GLN 28 6.175 9.518 5.145 171 HA GLN 28 HA GLN 28 4.652 7.320 6.022 172 1HB GLN 28 2HB GLN 28 6.149 7.229 7.924 173 2HB GLN 28 1HB GLN 28 7.068 7.570 6.463 174 1HG GLN 28 2HG GLN 28 7.247 9.892 7.058 175 2HG GLN 28 1HG GLN 28 6.199 9.650 8.455 176 1HE2 GLN 28 1HE2 GLN 28 7.204 9.455 10.311 177 2HE2 GLN 28 2HE2 GLN 28 8.812 8.869 10.548 178 H GLY 29 H GLY 29 3.432 7.027 7.932 179 1HA GLY 29 2HA GLY 29 1.994 7.619 9.631 180 2HA GLY 29 1HA GLY 29 2.710 9.222 9.613 181 H ILE 30 H ILE 30 1.730 8.510 6.513 182 HA ILE 30 HA ILE 30 -0.723 10.033 6.893 183 HB ILE 30 HB ILE 30 0.852 9.595 4.358 184 1HG1 ILE 30 2HG1 ILE 30 2.079 10.968 5.969 185 2HG1 ILE 30 1HG1 ILE 30 1.523 11.947 4.612 186 1HG2 ILE 30 1HG2 ILE 30 -0.839 11.859 4.210 187 2HG2 ILE 30 2HG2 ILE 30 -1.812 10.508 4.788 188 3HG2 ILE 30 3HG2 ILE 30 -0.921 10.368 3.272 189 1HD1 ILE 30 1HD1 ILE 30 1.232 13.117 6.729 190 2HD1 ILE 30 2HD1 ILE 30 0.221 11.800 7.327 191 3HD1 ILE 30 3HD1 ILE 30 -0.326 12.786 5.971 192 H SER 31 H SER 31 -2.666 9.146 6.491 193 HA SER 31 HA SER 31 -2.739 6.392 5.523 194 1HB SER 31 2HB SER 31 -5.086 6.413 6.296 195 2HB SER 31 1HB SER 31 -3.982 6.910 7.578 196 HG SER 31 HG SER 31 -5.065 8.693 7.678 197 H GLY 32 H GLY 32 -4.250 5.742 3.846 198 1HA GLY 32 2HA GLY 32 -5.515 7.759 2.237 199 2HA GLY 32 1HA GLY 32 -4.055 7.121 1.498 200 H ARG 33 H ARG 33 -6.086 6.770 0.009 201 HA ARG 33 HA ARG 33 -7.271 4.169 0.560 202 1HB ARG 33 2HB ARG 33 -8.084 6.366 -1.298 203 2HB ARG 33 1HB ARG 33 -8.709 4.739 -1.469 204 1HG ARG 33 2HG ARG 33 -10.132 6.341 -0.153 205 2HG ARG 33 1HG ARG 33 -9.774 4.790 0.604 206 1HD ARG 33 2HD ARG 33 -8.077 5.808 1.984 207 2HD ARG 33 1HD ARG 33 -8.278 7.352 1.160 208 HE ARG 33 HE ARG 33 -10.751 6.591 2.226 209 1HH1 ARG 33 1HH1 ARG 33 -7.587 7.577 3.323 210 2HH1 ARG 33 2HH1 ARG 33 -8.179 8.282 4.790 211 1HH2 ARG 33 1HH2 ARG 33 -11.530 7.519 4.153 212 2HH2 ARG 33 2HH2 ARG 33 -10.417 8.249 5.262 213 H VAL 34 H VAL 34 -7.674 2.866 -1.556 214 HA VAL 34 HA VAL 34 -4.973 2.351 -2.592 215 HB VAL 34 HB VAL 34 -7.370 0.538 -2.766 216 1HG1 VAL 34 1HG1 VAL 34 -5.758 -0.134 -4.349 217 2HG1 VAL 34 2HG1 VAL 34 -5.539 -1.201 -2.961 218 3HG1 VAL 34 3HG1 VAL 34 -4.426 0.142 -3.225 219 1HG2 VAL 34 1HG2 VAL 34 -6.683 1.176 -0.420 220 2HG2 VAL 34 2HG2 VAL 34 -5.162 0.344 -0.745 221 3HG2 VAL 34 3HG2 VAL 34 -6.680 -0.548 -0.795 222 H VAL 35 H VAL 35 -4.540 1.722 -4.745 223 HA VAL 35 HA VAL 35 -6.602 2.265 -6.746 224 HB VAL 35 HB VAL 35 -3.974 2.954 -7.755 225 1HG1 VAL 35 1HG1 VAL 35 -5.544 3.462 -9.272 226 2HG1 VAL 35 2HG1 VAL 35 -5.498 5.017 -8.439 227 3HG1 VAL 35 3HG1 VAL 35 -6.760 3.845 -8.053 228 1HG2 VAL 35 1HG2 VAL 35 -4.429 4.035 -5.292 229 2HG2 VAL 35 2HG2 VAL 35 -4.951 5.304 -6.394 230 3HG2 VAL 35 3HG2 VAL 35 -3.328 4.654 -6.508 231 H ASP 36 H ASP 36 -3.301 1.187 -6.152 232 HA ASP 36 HA ASP 36 -3.780 -1.378 -7.330 233 1HB ASP 36 2HB ASP 36 -1.841 0.515 -8.675 234 2HB ASP 36 1HB ASP 36 -2.002 -1.199 -9.044 235 H GLU 37 H GLU 37 -1.744 -2.729 -7.286 236 HA GLU 37 HA GLU 37 0.054 -1.850 -5.124 237 1HB GLU 37 2HB GLU 37 -1.046 -4.637 -5.549 238 2HB GLU 37 1HB GLU 37 0.148 -4.193 -4.339 239 1HG GLU 37 2HG GLU 37 -1.896 -4.320 -3.202 240 2HG GLU 37 1HG GLU 37 -1.571 -2.601 -3.405 241 H THR 38 H THR 38 2.106 -1.735 -5.794 242 HA THR 38 HA THR 38 2.930 -3.499 -8.011 243 HB THR 38 HB THR 38 3.923 -0.720 -7.381 244 HG1 THR 38 1HG THR 38 2.312 -0.154 -8.575 245 1HG2 THR 38 1HG2 THR 38 4.597 -2.480 -9.722 246 2HG2 THR 38 2HG2 THR 38 5.677 -2.098 -8.383 247 3HG2 THR 38 3HG2 THR 38 5.132 -0.818 -9.467 248 H ARG 39 H ARG 39 5.116 -4.200 -8.053 249 HA ARG 39 HA ARG 39 6.082 -5.475 -5.885 250 1HB ARG 39 2HB ARG 39 8.291 -5.491 -6.966 251 2HB ARG 39 1HB ARG 39 6.997 -5.792 -8.118 252 1HG ARG 39 2HG ARG 39 7.120 -3.461 -8.859 253 2HG ARG 39 1HG ARG 39 8.427 -3.173 -7.713 254 1HD ARG 39 2HD ARG 39 9.797 -4.849 -8.859 255 2HD ARG 39 1HD ARG 39 8.489 -5.128 -10.007 256 HE ARG 39 HE ARG 39 9.089 -2.407 -10.049 257 1HH1 ARG 39 1HH1 ARG 39 10.630 -5.431 -10.858 258 2HH1 ARG 39 2HH1 ARG 39 11.602 -4.743 -12.115 259 1HH2 ARG 39 1HH2 ARG 39 10.366 -1.501 -11.701 260 2HH2 ARG 39 2HH2 ARG 39 11.453 -2.514 -12.593 261 H ASN 40 H ASN 40 6.972 -2.158 -6.802 262 HA ASN 40 HA ASN 40 7.819 -1.724 -4.030 263 1HB ASN 40 2HB ASN 40 9.792 -0.460 -4.767 264 2HB ASN 40 1HB ASN 40 9.867 -2.143 -5.262 265 1HD2 ASN 40 1HD2 ASN 40 7.659 -0.599 -7.254 266 2HD2 ASN 40 2HD2 ASN 40 8.715 -0.218 -8.556 267 H THR 41 H THR 41 5.420 -0.965 -5.556 268 HA THR 41 HA THR 41 5.490 1.858 -4.870 269 HB THR 41 HB THR 41 4.695 0.919 -7.633 270 HG1 THR 41 1HG THR 41 6.772 2.659 -6.805 271 1HG2 THR 41 1HG2 THR 41 4.288 3.218 -8.187 272 2HG2 THR 41 2HG2 THR 41 4.705 3.723 -6.549 273 3HG2 THR 41 3HG2 THR 41 3.260 2.754 -6.830 274 H LEU 42 H LEU 42 3.669 2.483 -3.923 275 HA LEU 42 HA LEU 42 1.350 0.675 -4.089 276 1HB LEU 42 2HB LEU 42 2.552 0.933 -1.876 277 2HB LEU 42 1HB LEU 42 1.999 2.592 -1.854 278 HG LEU 42 HG LEU 42 0.604 1.167 -0.449 279 1HD1 LEU 42 1HD1 LEU 42 -1.016 1.913 -2.870 280 2HD1 LEU 42 2HD1 LEU 42 -0.332 3.123 -1.785 281 3HD1 LEU 42 3HD1 LEU 42 -1.495 1.947 -1.174 282 1HD2 LEU 42 1HD2 LEU 42 0.826 -0.961 -1.506 283 2HD2 LEU 42 2HD2 LEU 42 0.136 -0.355 -3.013 284 3HD2 LEU 42 3HD2 LEU 42 -0.879 -0.517 -1.580 285 H ARG 43 H ARG 43 -0.075 1.517 -5.485 286 HA ARG 43 HA ARG 43 -0.345 4.384 -5.789 287 1HB ARG 43 2HB ARG 43 -0.618 2.349 -7.539 288 2HB ARG 43 1HB ARG 43 -2.297 2.553 -7.065 289 1HG ARG 43 2HG ARG 43 -2.187 4.916 -7.719 290 2HG ARG 43 1HG ARG 43 -0.508 4.690 -8.206 291 1HD ARG 43 2HD ARG 43 -1.216 3.030 -9.863 292 2HD ARG 43 1HD ARG 43 -2.895 3.263 -9.378 293 HE ARG 43 HE ARG 43 -1.826 5.747 -10.098 294 1HH1 ARG 43 1HH1 ARG 43 -2.691 2.705 -11.574 295 2HH1 ARG 43 2HH1 ARG 43 -3.046 3.410 -13.115 296 1HH2 ARG 43 1HH2 ARG 43 -2.292 6.676 -12.126 297 2HH2 ARG 43 2HH2 ARG 43 -2.819 5.664 -13.429 298 H ILE 44 H ILE 44 -1.647 5.588 -4.599 299 HA ILE 44 HA ILE 44 -3.757 4.307 -3.012 300 HB ILE 44 HB ILE 44 -2.327 6.951 -2.675 301 1HG1 ILE 44 2HG1 ILE 44 -2.284 4.411 -1.034 302 2HG1 ILE 44 1HG1 ILE 44 -0.991 4.997 -2.077 303 1HG2 ILE 44 1HG2 ILE 44 -3.966 6.048 -0.431 304 2HG2 ILE 44 2HG2 ILE 44 -4.886 6.551 -1.848 305 3HG2 ILE 44 3HG2 ILE 44 -3.738 7.661 -1.104 306 1HD1 ILE 44 1HD1 ILE 44 -0.245 5.663 -0.023 307 2HD1 ILE 44 2HD1 ILE 44 -1.868 5.974 0.590 308 3HD1 ILE 44 3HD1 ILE 44 -1.120 7.107 -0.536 309 H GLU 45 H GLU 45 -5.763 4.432 -3.800 310 HA GLU 45 HA GLU 45 -6.615 6.990 -4.946 311 1HB GLU 45 2HB GLU 45 -6.529 5.602 -6.842 312 2HB GLU 45 1HB GLU 45 -7.197 4.225 -5.986 313 1HG GLU 45 2HG GLU 45 -9.356 5.380 -5.856 314 2HG GLU 45 1HG GLU 45 -8.666 6.747 -6.727 315 H MET 46 H MET 46 -8.379 7.803 -4.275 316 HA MET 46 HA MET 46 -9.876 6.521 -2.115 317 1HB MET 46 2HB MET 46 -9.545 9.400 -2.971 318 2HB MET 46 1HB MET 46 -10.698 8.895 -1.748 319 1HG MET 46 2HG MET 46 -8.695 9.779 -0.738 320 2HG MET 46 1HG MET 46 -8.877 8.073 -0.360 321 1HE MET 46 1HE MET 46 -6.399 9.800 -3.623 322 2HE MET 46 2HE MET 46 -5.869 10.545 -2.120 323 3HE MET 46 3HE MET 46 -7.563 10.631 -2.599 324 H ASP 47 H ASP 47 -11.954 5.972 -2.374 325 HA ASP 47 HA ASP 47 -13.214 5.625 -4.748 326 1HB ASP 47 2HB ASP 47 -14.546 6.264 -2.114 327 2HB ASP 47 1HB ASP 47 -15.343 5.524 -3.499 328 H ASP 48 H ASP 48 -12.992 8.591 -2.975 329 HA ASP 48 HA ASP 48 -15.095 10.005 -4.186 330 1HB ASP 48 2HB ASP 48 -12.488 11.030 -3.050 331 2HB ASP 48 1HB ASP 48 -13.873 12.038 -3.458 332 H GLY 49 H GLY 49 -12.212 8.849 -5.523 333 1HA GLY 49 2HA GLY 49 -11.846 8.936 -7.874 334 2HA GLY 49 1HA GLY 49 -12.645 10.500 -7.908 335 H ARG 50 H ARG 50 -10.369 9.889 -5.400 336 HA ARG 50 HA ARG 50 -8.489 11.747 -6.707 337 1HB ARG 50 2HB ARG 50 -8.991 11.101 -3.808 338 2HB ARG 50 1HB ARG 50 -7.563 11.977 -4.336 339 1HG ARG 50 2HG ARG 50 -9.258 13.512 -3.562 340 2HG ARG 50 1HG ARG 50 -8.997 13.718 -5.295 341 1HD ARG 50 2HD ARG 50 -10.995 12.474 -5.794 342 2HD ARG 50 1HD ARG 50 -11.221 12.078 -4.091 343 HE ARG 50 HE ARG 50 -12.072 14.432 -5.399 344 1HH1 ARG 50 1HH1 ARG 50 -10.738 13.314 -2.372 345 2HH1 ARG 50 2HH1 ARG 50 -11.371 14.643 -1.461 346 1HH2 ARG 50 1HH2 ARG 50 -12.910 16.175 -4.198 347 2HH2 ARG 50 2HH2 ARG 50 -12.607 16.265 -2.495 348 H GLU 51 H GLU 51 -6.557 11.012 -7.379 349 HA GLU 51 HA GLU 51 -5.668 8.406 -6.333 350 1HB GLU 51 2HB GLU 51 -4.662 7.970 -8.498 351 2HB GLU 51 1HB GLU 51 -6.365 8.358 -8.694 352 1HG GLU 51 2HG GLU 51 -5.780 10.627 -9.365 353 2HG GLU 51 1HG GLU 51 -4.071 10.246 -9.166 354 H ILE 52 H ILE 52 -3.547 8.133 -5.760 355 HA ILE 52 HA ILE 52 -1.535 10.117 -6.292 356 HB ILE 52 HB ILE 52 -2.698 11.158 -4.393 357 1HG1 ILE 52 2HG1 ILE 52 -0.730 11.452 -2.936 358 2HG1 ILE 52 1HG1 ILE 52 0.022 10.038 -3.674 359 1HG2 ILE 52 1HG2 ILE 52 -1.802 9.176 -2.428 360 2HG2 ILE 52 2HG2 ILE 52 -3.106 8.633 -3.482 361 3HG2 ILE 52 3HG2 ILE 52 -3.306 10.093 -2.515 362 1HD1 ILE 52 1HD1 ILE 52 0.934 12.109 -4.593 363 2HD1 ILE 52 2HD1 ILE 52 -0.684 12.605 -5.100 364 3HD1 ILE 52 3HD1 ILE 52 0.075 11.191 -5.834 365 H THR 53 H THR 53 0.418 9.142 -6.375 366 HA THR 53 HA THR 53 0.574 6.336 -5.695 367 HB THR 53 HB THR 53 1.504 7.079 -7.812 368 HG1 THR 53 1HG THR 53 3.550 6.313 -6.005 369 1HG2 THR 53 1HG2 THR 53 2.719 8.899 -8.085 370 2HG2 THR 53 2HG2 THR 53 3.910 8.331 -6.915 371 3HG2 THR 53 3HG2 THR 53 2.510 9.254 -6.370 372 H VAL 54 H VAL 54 2.192 5.384 -4.385 373 HA VAL 54 HA VAL 54 3.768 7.075 -2.635 374 HB VAL 54 HB VAL 54 1.704 5.193 -1.474 375 1HG1 VAL 54 1HG1 VAL 54 3.799 5.276 -0.188 376 2HG1 VAL 54 2HG1 VAL 54 2.459 6.010 0.694 377 3HG1 VAL 54 3HG1 VAL 54 3.662 7.032 -0.092 378 1HG2 VAL 54 1HG2 VAL 54 0.874 7.390 -0.443 379 2HG2 VAL 54 2HG2 VAL 54 0.503 7.091 -2.143 380 3HG2 VAL 54 3HG2 VAL 54 1.816 8.186 -1.703 381 HA PRO 55 HA PRO 55 6.460 3.596 -3.600 382 1HB PRO 55 2HB PRO 55 8.028 4.841 -1.396 383 2HB PRO 55 1HB PRO 55 8.546 4.365 -3.017 384 1HG PRO 55 2HG PRO 55 8.164 6.926 -2.427 385 2HG PRO 55 1HG PRO 55 7.665 6.278 -4.001 386 1HD PRO 55 2HD PRO 55 5.999 6.953 -1.613 387 2HD PRO 55 1HD PRO 55 5.644 7.179 -3.338 388 H LYS 56 H LYS 56 6.072 1.605 -2.871 389 HA LYS 56 HA LYS 56 5.556 1.191 -0.018 390 1HB LYS 56 2HB LYS 56 3.849 0.006 -0.846 391 2HB LYS 56 1HB LYS 56 4.515 0.040 -2.472 392 1HG LYS 56 2HG LYS 56 5.935 -1.871 -1.922 393 2HG LYS 56 1HG LYS 56 5.247 -1.910 -0.297 394 1HD LYS 56 2HD LYS 56 3.023 -2.314 -1.266 395 2HD LYS 56 1HD LYS 56 3.736 -2.306 -2.881 396 1HE LYS 56 2HE LYS 56 4.398 -4.239 -0.661 397 2HE LYS 56 1HE LYS 56 3.389 -4.586 -2.065 398 1HZ LYS 56 1HZ LYS 56 6.288 -4.340 -1.874 399 2HZ LYS 56 2HZ LYS 56 5.570 -3.748 -3.285 400 3HZ LYS 56 3HZ LYS 56 5.349 -5.366 -2.840 401 H GLY 57 H GLY 57 8.068 0.886 -2.232 402 1HA GLY 57 2HA GLY 57 9.281 -1.525 -1.731 403 2HA GLY 57 1HA GLY 57 10.163 -0.038 -2.029 404 H ILE 58 H ILE 58 9.014 1.168 0.457 405 HA ILE 58 HA ILE 58 10.134 -0.454 2.556 406 HB ILE 58 HB ILE 58 11.220 2.324 2.111 407 1HG1 ILE 58 2HG1 ILE 58 13.411 1.013 1.715 408 2HG1 ILE 58 1HG1 ILE 58 12.368 -0.373 1.405 409 1HG2 ILE 58 1HG2 ILE 58 11.013 1.242 4.457 410 2HG2 ILE 58 2HG2 ILE 58 12.525 2.024 3.995 411 3HG2 ILE 58 3HG2 ILE 58 12.387 0.266 3.941 412 1HD1 ILE 58 1HD1 ILE 58 11.350 1.739 -0.133 413 2HD1 ILE 58 2HD1 ILE 58 12.198 0.297 -0.690 414 3HD1 ILE 58 3HD1 ILE 58 13.102 1.768 -0.332 415 H ALA 59 H ALA 59 7.596 -0.096 2.548 416 HA ALA 59 HA ALA 59 7.131 1.873 4.630 417 1HB ALA 59 1HB ALA 59 6.616 2.717 2.175 418 2HB ALA 59 2HB ALA 59 5.622 3.183 3.555 419 3HB ALA 59 3HB ALA 59 5.092 1.884 2.484 420 H VAL 60 H VAL 60 6.124 0.887 6.253 421 HA VAL 60 HA VAL 60 4.561 -1.517 5.759 422 HB VAL 60 HB VAL 60 6.075 -1.497 7.689 423 1HG1 VAL 60 1HG1 VAL 60 5.313 1.091 8.037 424 2HG1 VAL 60 2HG1 VAL 60 6.163 0.123 9.242 425 3HG1 VAL 60 3HG1 VAL 60 4.409 0.283 9.316 426 1HG2 VAL 60 1HG2 VAL 60 4.371 -2.138 9.444 427 2HG2 VAL 60 2HG2 VAL 60 4.234 -2.973 7.897 428 3HG2 VAL 60 3HG2 VAL 60 3.128 -1.656 8.288 429 H PHE 61 H PHE 61 2.365 -1.622 5.758 430 HA PHE 61 HA PHE 61 0.814 0.448 7.020 431 1HB PHE 61 2HB PHE 61 -0.440 0.901 4.822 432 2HB PHE 61 1HB PHE 61 1.121 1.674 5.059 433 HD1 PHE 61 1HD PHE 61 -0.015 -1.658 3.786 434 HD2 PHE 61 2HD PHE 61 2.335 1.831 3.147 435 HE1 PHE 61 1HE PHE 61 0.794 -2.593 1.659 436 HE2 PHE 61 2HE PHE 61 3.146 0.903 1.020 437 HZ PHE 61 HZ PHE 61 2.374 -1.313 0.275 438 H HIS 62 H HIS 62 -1.456 0.015 7.031 439 HA HIS 62 HA HIS 62 -2.089 -2.805 6.453 440 1HB HIS 62 2HB HIS 62 -3.268 -1.270 8.763 441 2HB HIS 62 1HB HIS 62 -3.254 -3.011 8.500 442 HD1 HIS 62 1HD HIS 62 -0.339 -3.613 8.122 443 HD2 HIS 62 2HD HIS 62 -1.714 -0.883 10.933 444 HE1 HIS 62 1HE HIS 62 1.477 -3.462 9.855 445 HE2 HIS 62 2HE HIS 62 0.576 -1.882 11.599 446 H PHE 63 H PHE 63 -4.007 -3.198 5.447 447 HA PHE 63 HA PHE 63 -5.493 -0.853 4.548 448 1HB PHE 63 2HB PHE 63 -5.607 -3.752 3.686 449 2HB PHE 63 1HB PHE 63 -6.633 -2.487 3.021 450 HD1 PHE 63 1HD PHE 63 -2.976 -2.741 3.774 451 HD2 PHE 63 2HD PHE 63 -6.009 -1.943 0.897 452 HE1 PHE 63 1HE PHE 63 -1.251 -2.217 2.105 453 HE2 PHE 63 2HE PHE 63 -4.285 -1.421 -0.778 454 HZ PHE 63 HZ PHE 63 -1.903 -1.557 -0.175 455 H ARG 64 H ARG 64 -7.736 -0.638 4.795 456 HA ARG 64 HA ARG 64 -8.998 -2.454 6.730 457 1HB ARG 64 2HB ARG 64 -8.140 -0.259 7.741 458 2HB ARG 64 1HB ARG 64 -9.391 0.537 6.801 459 1HG ARG 64 2HG ARG 64 -9.863 -1.584 8.886 460 2HG ARG 64 1HG ARG 64 -10.059 0.151 9.126 461 1HD ARG 64 2HD ARG 64 -11.754 0.125 7.282 462 2HD ARG 64 1HD ARG 64 -11.634 -1.635 7.280 463 HE ARG 64 HE ARG 64 -13.022 -1.651 9.074 464 1HH1 ARG 64 1HH1 ARG 64 -11.450 1.464 8.967 465 2HH1 ARG 64 2HH1 ARG 64 -12.282 2.071 10.359 466 1HH2 ARG 64 1HH2 ARG 64 -14.122 -0.850 10.901 467 2HH2 ARG 64 2HH2 ARG 64 -13.801 0.758 11.455 468 H THR 65 H THR 65 -10.751 -3.302 5.835 469 HA THR 65 HA THR 65 -12.033 -1.955 3.591 470 HB THR 65 HB THR 65 -12.533 -4.697 4.763 471 HG1 THR 65 1HG THR 65 -11.210 -5.444 3.177 472 1HG2 THR 65 1HG2 THR 65 -14.419 -4.433 3.532 473 2HG2 THR 65 2HG2 THR 65 -13.320 -4.995 2.272 474 3HG2 THR 65 3HG2 THR 65 -13.676 -3.274 2.430 475 HA PRO 66 HA PRO 66 -15.215 -0.041 6.050 476 1HB PRO 66 2HB PRO 66 -16.838 -0.734 3.635 477 2HB PRO 66 1HB PRO 66 -16.735 0.792 4.519 478 1HG PRO 66 2HG PRO 66 -15.458 0.481 2.207 479 2HG PRO 66 1HG PRO 66 -14.710 1.372 3.545 480 1HD PRO 66 2HD PRO 66 -14.112 -1.354 2.514 481 2HD PRO 66 1HD PRO 66 -13.029 -0.164 3.261 482 H GLN 67 H GLN 67 -15.610 -3.153 4.481 483 HA GLN 67 HA GLN 67 -18.020 -3.893 5.777 484 1HB GLN 67 2HB GLN 67 -15.850 -5.494 4.431 485 2HB GLN 67 1HB GLN 67 -17.276 -6.245 5.138 486 1HG GLN 67 2HG GLN 67 -17.500 -5.909 2.727 487 2HG GLN 67 1HG GLN 67 -18.716 -5.019 3.639 488 1HE2 GLN 67 1HE2 GLN 67 -19.067 -3.047 2.951 489 2HE2 GLN 67 2HE2 GLN 67 -17.931 -2.024 2.147 490 H GLY 68 H GLY 68 -14.885 -3.525 6.980 491 1HA GLY 68 2HA GLY 68 -14.512 -3.666 9.339 492 2HA GLY 68 1HA GLY 68 -15.655 -4.998 9.403 493 H GLU 69 H GLU 69 -12.794 -4.418 7.353 494 HA GLU 69 HA GLU 69 -11.641 -6.890 8.472 495 1HB GLU 69 2HB GLU 69 -11.492 -6.012 5.583 496 2HB GLU 69 1HB GLU 69 -10.753 -7.452 6.264 497 1HG GLU 69 2HG GLU 69 -12.962 -8.344 6.791 498 2HG GLU 69 1HG GLU 69 -13.707 -6.898 6.110 499 H LEU 70 H LEU 70 -9.414 -6.946 8.741 500 HA LEU 70 HA LEU 70 -7.991 -4.416 8.245 501 1HB LEU 70 2HB LEU 70 -8.628 -4.669 10.628 502 2HB LEU 70 1HB LEU 70 -7.725 -6.169 10.692 503 HG LEU 70 HG LEU 70 -6.526 -4.247 11.699 504 1HD1 LEU 70 1HD1 LEU 70 -4.446 -4.895 10.945 505 2HD1 LEU 70 2HD1 LEU 70 -4.982 -5.039 9.270 506 3HD1 LEU 70 3HD1 LEU 70 -5.445 -6.265 10.450 507 1HD2 LEU 70 1HD2 LEU 70 -6.436 -3.205 8.869 508 2HD2 LEU 70 2HD2 LEU 70 -5.610 -2.509 10.265 509 3HD2 LEU 70 3HD2 LEU 70 -7.374 -2.506 10.191 510 H VAL 71 H VAL 71 -6.513 -4.824 6.741 511 HA VAL 71 HA VAL 71 -5.089 -7.404 6.821 512 HB VAL 71 HB VAL 71 -5.315 -5.509 4.478 513 1HG1 VAL 71 1HG1 VAL 71 -4.721 -8.310 3.953 514 2HG1 VAL 71 2HG1 VAL 71 -3.487 -7.517 4.928 515 3HG1 VAL 71 3HG1 VAL 71 -3.930 -6.852 3.355 516 1HG2 VAL 71 1HG2 VAL 71 -7.204 -6.512 3.791 517 2HG2 VAL 71 2HG2 VAL 71 -7.377 -6.963 5.488 518 3HG2 VAL 71 3HG2 VAL 71 -6.679 -8.104 4.340 519 H GLU 72 H GLU 72 -2.871 -7.469 6.819 520 HA GLU 72 HA GLU 72 -1.505 -4.896 7.258 521 1HB GLU 72 2HB GLU 72 -1.453 -6.269 9.238 522 2HB GLU 72 1HB GLU 72 -0.899 -7.660 8.318 523 1HG GLU 72 2HG GLU 72 1.215 -6.539 7.873 524 2HG GLU 72 1HG GLU 72 0.662 -5.126 8.768 525 H ILE 73 H ILE 73 0.135 -4.311 5.934 526 HA ILE 73 HA ILE 73 1.392 -6.382 4.277 527 HB ILE 73 HB ILE 73 0.407 -3.730 3.208 528 1HG1 ILE 73 2HG1 ILE 73 -0.943 -5.236 1.679 529 2HG1 ILE 73 1HG1 ILE 73 -0.510 -6.573 2.740 530 1HG2 ILE 73 1HG2 ILE 73 2.340 -5.713 2.210 531 2HG2 ILE 73 2HG2 ILE 73 2.193 -3.991 1.860 532 3HG2 ILE 73 3HG2 ILE 73 1.151 -5.150 1.034 533 1HD1 ILE 73 1HD1 ILE 73 -1.577 -4.384 4.268 534 2HD1 ILE 73 2HD1 ILE 73 -2.139 -6.050 4.149 535 3HD1 ILE 73 3HD1 ILE 73 -2.688 -4.849 2.981 536 H ASP 74 H ASP 74 3.447 -6.345 4.911 537 HA ASP 74 HA ASP 74 4.658 -3.909 5.876 538 1HB ASP 74 2HB ASP 74 5.769 -6.699 5.543 539 2HB ASP 74 1HB ASP 74 6.643 -5.359 6.279 540 H GLY 75 H GLY 75 5.026 -2.490 4.280 541 1HA GLY 75 2HA GLY 75 6.069 -3.252 1.716 542 2HA GLY 75 1HA GLY 75 5.801 -1.614 2.286 543 H ARG 76 H ARG 76 7.484 -2.679 4.744 544 HA ARG 76 HA ARG 76 9.978 -1.751 3.629 545 1HB ARG 76 2HB ARG 76 9.174 -0.673 5.661 546 2HB ARG 76 1HB ARG 76 9.162 -2.224 6.487 547 1HG ARG 76 2HG ARG 76 11.598 -2.366 6.226 548 2HG ARG 76 1HG ARG 76 11.592 -0.786 5.439 549 1HD ARG 76 2HD ARG 76 12.204 -0.586 7.788 550 2HD ARG 76 1HD ARG 76 10.670 0.221 7.466 551 HE ARG 76 HE ARG 76 10.129 -2.392 8.302 552 1HH1 ARG 76 1HH1 ARG 76 11.441 0.578 9.586 553 2HH1 ARG 76 2HH1 ARG 76 10.931 0.249 11.207 554 1HH2 ARG 76 1HH2 ARG 76 9.459 -2.826 10.436 555 2HH2 ARG 76 2HH2 ARG 76 9.806 -1.684 11.690 556 H ALA 77 H ALA 77 9.186 -4.215 6.013 557 HA ALA 77 HA ALA 77 11.566 -5.688 5.434 558 1HB ALA 77 1HB ALA 77 9.261 -6.304 7.265 559 2HB ALA 77 2HB ALA 77 10.800 -5.562 7.704 560 3HB ALA 77 3HB ALA 77 10.751 -7.241 7.168 561 H LEU 78 H LEU 78 8.477 -5.698 4.031 562 HA LEU 78 HA LEU 78 9.037 -8.344 2.873 563 1HB LEU 78 2HB LEU 78 6.362 -7.311 3.798 564 2HB LEU 78 1HB LEU 78 6.556 -8.715 2.772 565 HG LEU 78 HG LEU 78 6.206 -9.411 5.059 566 1HD1 LEU 78 1HD1 LEU 78 8.195 -10.801 5.379 567 2HD1 LEU 78 2HD1 LEU 78 9.062 -9.827 4.191 568 3HD1 LEU 78 3HD1 LEU 78 7.667 -10.786 3.695 569 1HD2 LEU 78 1HD2 LEU 78 7.664 -7.159 5.740 570 2HD2 LEU 78 2HD2 LEU 78 8.722 -8.499 6.178 571 3HD2 LEU 78 3HD2 LEU 78 7.090 -8.410 6.840 572 H VAL 79 H VAL 79 9.873 -6.066 1.620 573 HA VAL 79 HA VAL 79 8.014 -4.954 -0.185 574 HB VAL 79 HB VAL 79 10.161 -3.875 0.268 575 1HG1 VAL 79 1HG1 VAL 79 11.362 -6.176 0.273 576 2HG1 VAL 79 2HG1 VAL 79 12.231 -4.742 -0.272 577 3HG1 VAL 79 3HG1 VAL 79 11.567 -5.873 -1.452 578 1HG2 VAL 79 1HG2 VAL 79 8.889 -3.606 -1.932 579 2HG2 VAL 79 2HG2 VAL 79 10.151 -4.614 -2.642 580 3HG2 VAL 79 3HG2 VAL 79 10.570 -3.073 -1.896 581 H ALA 80 H ALA 80 6.811 -6.340 -1.368 582 HA ALA 80 HA ALA 80 7.493 -8.814 -2.364 583 1HB ALA 80 1HB ALA 80 5.700 -7.028 -3.950 584 2HB ALA 80 2HB ALA 80 5.225 -7.558 -2.338 585 3HB ALA 80 3HB ALA 80 5.542 -8.748 -3.599 586 H ARG 81 H ARG 81 8.679 -9.576 -4.000 587 HA ARG 81 HA ARG 81 9.732 -7.652 -5.956 588 1HB ARG 81 2HB ARG 81 11.742 -9.069 -6.115 589 2HB ARG 81 1HB ARG 81 11.514 -8.430 -4.497 590 1HG ARG 81 2HG ARG 81 10.464 -11.141 -5.147 591 2HG ARG 81 1HG ARG 81 12.189 -10.923 -4.866 592 1HD ARG 81 2HD ARG 81 11.722 -9.953 -2.676 593 2HD ARG 81 1HD ARG 81 9.994 -10.138 -2.950 594 HE ARG 81 HE ARG 81 11.246 -12.634 -3.249 595 1HH1 ARG 81 1HH1 ARG 81 10.431 -10.313 -0.774 596 2HH1 ARG 81 2HH1 ARG 81 10.332 -11.500 0.483 597 1HH2 ARG 81 1HH2 ARG 81 11.117 -14.196 -1.598 598 2HH2 ARG 81 2HH2 ARG 81 10.722 -13.705 0.016 599 HA PRO 82 HA PRO 82 7.702 -10.231 -8.946 600 1HB PRO 82 2HB PRO 82 8.835 -9.265 -11.196 601 2HB PRO 82 1HB PRO 82 7.650 -8.342 -10.265 602 1HG PRO 82 2HG PRO 82 10.636 -8.126 -10.275 603 2HG PRO 82 1HG PRO 82 9.420 -6.835 -10.285 604 1HD PRO 82 2HD PRO 82 10.732 -7.625 -8.036 605 2HD PRO 82 1HD PRO 82 9.085 -6.965 -8.015 606 H GLU 83 H GLU 83 8.268 -11.675 -10.822 607 HA GLU 83 HA GLU 83 10.339 -13.466 -10.046 608 1HB GLU 83 2HB GLU 83 8.677 -13.402 -12.570 609 2HB GLU 83 1HB GLU 83 9.686 -14.745 -12.051 610 1HG GLU 83 2HG GLU 83 8.302 -15.012 -10.055 611 2HG GLU 83 1HG GLU 83 7.288 -13.671 -10.584 612 H GLU 84 H GLU 84 10.218 -10.745 -12.123 613 HA GLU 84 HA GLU 84 12.470 -11.510 -13.752 614 1HB GLU 84 2HB GLU 84 11.093 -8.837 -13.434 615 2HB GLU 84 1HB GLU 84 12.301 -9.220 -14.652 616 1HG GLU 84 2HG GLU 84 9.596 -10.513 -14.383 617 2HG GLU 84 1HG GLU 84 10.050 -9.290 -15.569 618 H ARG 85 H ARG 85 11.917 -9.691 -10.822 619 HA ARG 85 HA ARG 85 14.806 -9.511 -10.432 620 1HB ARG 85 2HB ARG 85 13.921 -7.351 -11.448 621 2HB ARG 85 1HB ARG 85 13.027 -7.119 -9.954 622 1HG ARG 85 2HG ARG 85 16.022 -7.385 -10.137 623 2HG ARG 85 1HG ARG 85 15.146 -5.858 -10.046 624 1HD ARG 85 2HD ARG 85 15.247 -8.033 -7.959 625 2HD ARG 85 1HD ARG 85 15.959 -6.427 -7.859 626 HE ARG 85 HE ARG 85 13.294 -7.125 -7.224 627 1HH1 ARG 85 1HH1 ARG 85 15.201 -4.570 -8.650 628 2HH1 ARG 85 2HH1 ARG 85 14.039 -3.336 -8.296 629 1HH2 ARG 85 1HH2 ARG 85 11.769 -5.500 -6.755 630 2HH2 ARG 85 2HH2 ARG 85 12.093 -3.864 -7.218 631 H ILE 86 H ILE 86 14.824 -10.912 -8.747 632 HA ILE 86 HA ILE 86 12.962 -10.496 -6.521 633 HB ILE 86 HB ILE 86 14.929 -12.745 -6.993 634 1HG1 ILE 86 2HG1 ILE 86 11.928 -12.648 -7.370 635 2HG1 ILE 86 1HG1 ILE 86 13.125 -12.701 -8.662 636 1HG2 ILE 86 1HG2 ILE 86 12.672 -13.175 -5.177 637 2HG2 ILE 86 2HG2 ILE 86 13.849 -11.993 -4.606 638 3HG2 ILE 86 3HG2 ILE 86 14.367 -13.629 -5.010 639 1HD1 ILE 86 1HD1 ILE 86 12.061 -14.847 -6.988 640 2HD1 ILE 86 2HD1 ILE 86 13.809 -14.889 -7.215 641 3HD1 ILE 86 3HD1 ILE 86 12.736 -14.898 -8.615 Start of MODEL 10 1 H ARG 9 H ARG 9 -7.901 -15.420 -1.760 2 HA ARG 9 HA ARG 9 -9.003 -12.883 -0.789 3 1HB ARG 9 2HB ARG 9 -6.814 -13.135 0.280 4 2HB ARG 9 1HB ARG 9 -6.068 -13.410 -1.287 5 1HG ARG 9 2HG ARG 9 -6.670 -11.144 -1.976 6 2HG ARG 9 1HG ARG 9 -7.418 -10.868 -0.401 7 1HD ARG 9 2HD ARG 9 -5.260 -11.230 0.689 8 2HD ARG 9 1HD ARG 9 -4.511 -11.511 -0.883 9 HE ARG 9 HE ARG 9 -5.764 -9.011 -0.937 10 1HH1 ARG 9 1HH1 ARG 9 -3.072 -10.591 0.625 11 2HH1 ARG 9 2HH1 ARG 9 -2.155 -9.134 0.800 12 1HH2 ARG 9 1HH2 ARG 9 -4.558 -7.092 -0.707 13 2HH2 ARG 9 2HH2 ARG 9 -2.999 -7.146 0.043 14 H HIS 10 H HIS 10 -9.053 -11.206 -2.339 15 HA HIS 10 HA HIS 10 -8.024 -11.514 -4.970 16 1HB HIS 10 2HB HIS 10 -9.840 -13.154 -5.134 17 2HB HIS 10 1HB HIS 10 -11.000 -11.934 -4.619 18 HD1 HIS 10 1HD HIS 10 -11.868 -12.972 -7.124 19 HD2 HIS 10 2HD HIS 10 -8.834 -10.135 -7.025 20 HE1 HIS 10 1HE HIS 10 -11.819 -11.959 -9.426 21 HE2 HIS 10 2HE HIS 10 -10.030 -10.188 -9.318 22 H GLU 11 H GLU 11 -10.905 -10.101 -3.404 23 HA GLU 11 HA GLU 11 -10.851 -7.690 -4.836 24 1HB GLU 11 2HB GLU 11 -12.825 -8.464 -3.610 25 2HB GLU 11 1HB GLU 11 -11.977 -8.248 -2.086 26 1HG GLU 11 2HG GLU 11 -11.844 -5.848 -2.492 27 2HG GLU 11 1HG GLU 11 -12.680 -6.060 -4.029 28 H LEU 12 H LEU 12 -10.359 -5.537 -4.033 29 HA LEU 12 HA LEU 12 -8.826 -5.022 -1.746 30 1HB LEU 12 2HB LEU 12 -7.124 -6.373 -2.860 31 2HB LEU 12 1HB LEU 12 -7.222 -5.351 -4.281 32 HG LEU 12 HG LEU 12 -6.359 -3.451 -2.972 33 1HD1 LEU 12 1HD1 LEU 12 -5.249 -4.241 -0.733 34 2HD1 LEU 12 2HD1 LEU 12 -6.538 -5.444 -0.768 35 3HD1 LEU 12 3HD1 LEU 12 -6.935 -3.726 -0.773 36 1HD2 LEU 12 1HD2 LEU 12 -4.368 -5.549 -2.402 37 2HD2 LEU 12 2HD2 LEU 12 -4.211 -4.049 -3.316 38 3HD2 LEU 12 3HD2 LEU 12 -4.952 -5.465 -4.064 39 H ILE 13 H ILE 13 -9.435 -4.151 -5.110 40 HA ILE 13 HA ILE 13 -8.780 -1.425 -4.937 41 HB ILE 13 HB ILE 13 -10.862 -2.700 -6.719 42 1HG1 ILE 13 2HG1 ILE 13 -8.701 -3.820 -6.945 43 2HG1 ILE 13 1HG1 ILE 13 -9.044 -2.857 -8.379 44 1HG2 ILE 13 1HG2 ILE 13 -11.112 -0.731 -7.734 45 2HG2 ILE 13 2HG2 ILE 13 -9.372 -0.456 -7.797 46 3HG2 ILE 13 3HG2 ILE 13 -10.283 -0.019 -6.352 47 1HD1 ILE 13 1HD1 ILE 13 -7.067 -2.337 -6.196 48 2HD1 ILE 13 2HD1 ILE 13 -7.624 -1.045 -7.261 49 3HD1 ILE 13 3HD1 ILE 13 -6.801 -2.451 -7.937 50 H GLY 14 H GLY 14 -9.892 0.358 -4.302 51 1HA GLY 14 2HA GLY 14 -11.860 1.588 -3.789 52 2HA GLY 14 1HA GLY 14 -12.710 0.071 -3.546 53 H LEU 15 H LEU 15 -10.476 -0.987 -1.895 54 HA LEU 15 HA LEU 15 -11.453 -0.201 0.637 55 1HB LEU 15 2HB LEU 15 -8.868 -1.614 -0.018 56 2HB LEU 15 1HB LEU 15 -9.650 -1.568 1.550 57 HG LEU 15 HG LEU 15 -10.712 -2.921 -0.930 58 1HD1 LEU 15 1HD1 LEU 15 -10.144 -4.387 1.571 59 2HD1 LEU 15 2HD1 LEU 15 -8.749 -3.828 0.646 60 3HD1 LEU 15 3HD1 LEU 15 -9.944 -4.883 -0.110 61 1HD2 LEU 15 1HD2 LEU 15 -12.202 -3.822 1.164 62 2HD2 LEU 15 2HD2 LEU 15 -12.702 -2.559 0.040 63 3HD2 LEU 15 3HD2 LEU 15 -11.981 -2.125 1.589 64 H SER 16 H SER 16 -10.193 0.746 2.395 65 HA SER 16 HA SER 16 -8.538 2.957 1.411 66 1HB SER 16 2HB SER 16 -10.443 3.580 2.833 67 2HB SER 16 1HB SER 16 -9.834 2.538 4.118 68 HG SER 16 HG SER 16 -9.063 5.061 3.397 69 H VAL 17 H VAL 17 -6.551 3.479 2.522 70 HA VAL 17 HA VAL 17 -5.414 1.393 4.202 71 HB VAL 17 HB VAL 17 -4.853 0.605 1.986 72 1HG1 VAL 17 1HG1 VAL 17 -3.487 1.932 0.448 73 2HG1 VAL 17 2HG1 VAL 17 -3.599 3.310 1.545 74 3HG1 VAL 17 3HG1 VAL 17 -5.051 2.687 0.758 75 1HG2 VAL 17 1HG2 VAL 17 -2.765 0.022 2.554 76 2HG2 VAL 17 2HG2 VAL 17 -3.083 0.946 4.021 77 3HG2 VAL 17 3HG2 VAL 17 -2.222 1.696 2.676 78 H ARG 18 H ARG 18 -4.389 2.308 5.834 79 HA ARG 18 HA ARG 18 -3.402 5.059 5.511 80 1HB ARG 18 2HB ARG 18 -3.542 5.215 7.967 81 2HB ARG 18 1HB ARG 18 -5.094 4.826 7.239 82 1HG ARG 18 2HG ARG 18 -4.758 2.465 7.829 83 2HG ARG 18 1HG ARG 18 -3.233 2.894 8.606 84 1HD ARG 18 2HD ARG 18 -4.438 4.365 10.150 85 2HD ARG 18 1HD ARG 18 -5.959 3.937 9.371 86 HE ARG 18 HE ARG 18 -6.001 2.064 10.656 87 1HH1 ARG 18 1HH1 ARG 18 -2.684 3.133 10.429 88 2HH1 ARG 18 2HH1 ARG 18 -2.083 1.890 11.473 89 1HH2 ARG 18 1HH2 ARG 18 -5.211 0.434 12.032 90 2HH2 ARG 18 2HH2 ARG 18 -3.517 0.359 12.387 91 H ILE 19 H ILE 19 -1.310 5.572 5.921 92 HA ILE 19 HA ILE 19 0.557 3.360 6.086 93 HB ILE 19 HB ILE 19 1.138 6.311 5.824 94 1HG1 ILE 19 2HG1 ILE 19 -0.208 5.505 3.942 95 2HG1 ILE 19 1HG1 ILE 19 1.443 5.849 3.429 96 1HG2 ILE 19 1HG2 ILE 19 3.067 4.423 4.737 97 2HG2 ILE 19 2HG2 ILE 19 2.855 4.263 6.479 98 3HG2 ILE 19 3HG2 ILE 19 3.314 5.818 5.786 99 1HD1 ILE 19 1HD1 ILE 19 0.857 3.823 2.377 100 2HD1 ILE 19 2HD1 ILE 19 0.146 3.168 3.855 101 3HD1 ILE 19 3HD1 ILE 19 1.895 3.364 3.729 102 H ALA 20 H ALA 20 1.497 2.689 7.887 103 HA ALA 20 HA ALA 20 1.197 4.233 10.330 104 1HB ALA 20 1HB ALA 20 2.531 2.012 11.105 105 2HB ALA 20 2HB ALA 20 1.705 1.416 9.665 106 3HB ALA 20 3HB ALA 20 0.773 2.120 10.987 107 H ARG 21 H ARG 21 3.628 3.271 8.065 108 HA ARG 21 HA ARG 21 5.464 5.218 8.999 109 1HB ARG 21 2HB ARG 21 5.912 3.496 10.683 110 2HB ARG 21 1HB ARG 21 6.211 2.324 9.410 111 1HG ARG 21 2HG ARG 21 8.126 3.653 8.651 112 2HG ARG 21 1HG ARG 21 7.839 4.791 9.971 113 1HD ARG 21 2HD ARG 21 8.186 2.991 11.593 114 2HD ARG 21 1HD ARG 21 8.471 1.856 10.275 115 HE ARG 21 HE ARG 21 10.256 3.994 10.001 116 1HH1 ARG 21 1HH1 ARG 21 9.631 1.322 12.159 117 2HH1 ARG 21 2HH1 ARG 21 11.285 1.167 12.648 118 1HH2 ARG 21 1HH2 ARG 21 12.432 3.791 10.643 119 2HH2 ARG 21 2HH2 ARG 21 12.875 2.568 11.787 120 H SER 22 H SER 22 7.136 5.586 7.553 121 HA SER 22 HA SER 22 7.269 3.881 5.178 122 1HB SER 22 2HB SER 22 6.832 6.873 5.092 123 2HB SER 22 1HB SER 22 7.154 5.851 3.692 124 HG SER 22 HG SER 22 4.995 5.942 3.743 125 H VAL 23 H VAL 23 9.136 4.455 3.758 126 HA VAL 23 HA VAL 23 11.517 4.470 5.175 127 HB VAL 23 HB VAL 23 12.601 4.717 3.024 128 1HG1 VAL 23 1HG1 VAL 23 11.050 2.954 1.772 129 2HG1 VAL 23 2HG1 VAL 23 10.331 2.871 3.381 130 3HG1 VAL 23 3HG1 VAL 23 12.048 2.533 3.165 131 1HG2 VAL 23 1HG2 VAL 23 11.311 6.461 2.001 132 2HG2 VAL 23 2HG2 VAL 23 9.861 5.459 2.019 133 3HG2 VAL 23 3HG2 VAL 23 11.213 5.034 0.968 134 H HIS 24 H HIS 24 9.876 7.105 3.445 135 HA HIS 24 HA HIS 24 11.845 8.995 4.525 136 1HB HIS 24 2HB HIS 24 9.839 9.274 2.283 137 2HB HIS 24 1HB HIS 24 10.828 10.602 2.880 138 HD1 HIS 24 1HD HIS 24 11.336 10.179 0.078 139 HD2 HIS 24 2HD HIS 24 13.195 7.785 2.920 140 HE1 HIS 24 1HE HIS 24 13.361 9.225 -1.067 141 HE2 HIS 24 2HE HIS 24 14.416 7.705 0.641 142 H ARG 25 H ARG 25 11.296 10.585 5.913 143 HA ARG 25 HA ARG 25 8.972 10.310 7.474 144 1HB ARG 25 2HB ARG 25 11.050 11.248 8.353 145 2HB ARG 25 1HB ARG 25 10.895 12.631 7.280 146 1HG ARG 25 2HG ARG 25 8.847 13.299 8.434 147 2HG ARG 25 1HG ARG 25 9.007 11.911 9.511 148 1HD ARG 25 2HD ARG 25 10.969 14.189 9.237 149 2HD ARG 25 1HD ARG 25 9.839 13.946 10.571 150 HE ARG 25 HE ARG 25 12.380 12.744 10.274 151 1HH1 ARG 25 1HH1 ARG 25 9.144 12.067 11.401 152 2HH1 ARG 25 2HH1 ARG 25 9.649 10.810 12.477 153 1HH2 ARG 25 1HH2 ARG 25 13.042 11.094 11.695 154 2HH2 ARG 25 2HH2 ARG 25 11.861 10.261 12.647 155 H ASP 26 H ASP 26 9.489 11.934 4.514 156 HA ASP 26 HA ASP 26 7.397 13.867 4.880 157 1HB ASP 26 2HB ASP 26 9.351 14.419 3.514 158 2HB ASP 26 1HB ASP 26 8.953 13.112 2.404 159 H ILE 27 H ILE 27 7.286 10.625 4.355 160 HA ILE 27 HA ILE 27 4.742 10.859 2.950 161 HB ILE 27 HB ILE 27 5.197 8.684 1.833 162 1HG1 ILE 27 2HG1 ILE 27 7.997 9.171 2.875 163 2HG1 ILE 27 1HG1 ILE 27 6.925 7.860 3.350 164 1HG2 ILE 27 1HG2 ILE 27 6.934 9.669 0.224 165 2HG2 ILE 27 2HG2 ILE 27 6.889 11.094 1.262 166 3HG2 ILE 27 3HG2 ILE 27 5.423 10.550 0.448 167 1HD1 ILE 27 1HD1 ILE 27 7.960 8.268 0.555 168 2HD1 ILE 27 2HD1 ILE 27 7.051 6.885 1.165 169 3HD1 ILE 27 3HD1 ILE 27 8.688 7.191 1.745 170 H GLN 28 H GLN 28 6.463 9.574 5.596 171 HA GLN 28 HA GLN 28 4.802 7.328 6.118 172 1HB GLN 28 2HB GLN 28 5.911 7.238 8.278 173 2HB GLN 28 1HB GLN 28 7.091 7.518 7.005 174 1HG GLN 28 2HG GLN 28 7.100 9.907 7.563 175 2HG GLN 28 1HG GLN 28 5.953 9.596 8.860 176 1HE2 GLN 28 1HE2 GLN 28 7.925 6.955 8.754 177 2HE2 GLN 28 2HE2 GLN 28 9.104 7.436 9.916 178 H GLY 29 H GLY 29 3.162 7.086 7.654 179 1HA GLY 29 2HA GLY 29 1.517 7.753 9.150 180 2HA GLY 29 1HA GLY 29 2.207 9.367 9.148 181 H ILE 30 H ILE 30 1.871 8.691 5.979 182 HA ILE 30 HA ILE 30 -0.442 10.345 5.731 183 HB ILE 30 HB ILE 30 1.068 8.846 3.589 184 1HG1 ILE 30 2HG1 ILE 30 2.503 10.419 4.797 185 2HG1 ILE 30 1HG1 ILE 30 2.178 11.003 3.167 186 1HG2 ILE 30 1HG2 ILE 30 0.022 10.951 2.313 187 2HG2 ILE 30 2HG2 ILE 30 -1.226 10.711 3.536 188 3HG2 ILE 30 3HG2 ILE 30 -0.804 9.397 2.438 189 1HD1 ILE 30 1HD1 ILE 30 0.493 12.536 4.052 190 2HD1 ILE 30 2HD1 ILE 30 2.072 12.812 4.790 191 3HD1 ILE 30 3HD1 ILE 30 0.818 11.950 5.684 192 H SER 31 H SER 31 -2.452 9.815 4.858 193 HA SER 31 HA SER 31 -3.079 6.934 4.798 194 1HB SER 31 2HB SER 31 -4.088 8.008 6.757 195 2HB SER 31 1HB SER 31 -4.850 9.214 5.720 196 HG SER 31 HG SER 31 -5.346 6.420 5.733 197 H GLY 32 H GLY 32 -4.781 6.286 3.320 198 1HA GLY 32 2HA GLY 32 -5.976 8.054 1.478 199 2HA GLY 32 1HA GLY 32 -4.508 7.403 0.768 200 H ARG 33 H ARG 33 -5.975 6.527 -0.832 201 HA ARG 33 HA ARG 33 -7.224 4.053 0.097 202 1HB ARG 33 2HB ARG 33 -8.171 5.896 -2.056 203 2HB ARG 33 1HB ARG 33 -8.723 4.234 -1.928 204 1HG ARG 33 2HG ARG 33 -9.520 4.633 0.314 205 2HG ARG 33 1HG ARG 33 -8.953 6.300 0.242 206 1HD ARG 33 2HD ARG 33 -10.526 6.778 -1.543 207 2HD ARG 33 1HD ARG 33 -11.047 5.095 -1.565 208 HE ARG 33 HE ARG 33 -11.415 6.054 1.020 209 1HH1 ARG 33 1HH1 ARG 33 -12.659 6.675 -2.180 210 2HH1 ARG 33 2HH1 ARG 33 -14.214 7.178 -1.612 211 1HH2 ARG 33 1HH2 ARG 33 -13.460 6.718 1.768 212 2HH2 ARG 33 2HH2 ARG 33 -14.670 7.205 0.629 213 H VAL 34 H VAL 34 -7.534 2.490 -1.826 214 HA VAL 34 HA VAL 34 -4.798 2.024 -2.773 215 HB VAL 34 HB VAL 34 -7.053 0.038 -2.554 216 1HG1 VAL 34 1HG1 VAL 34 -5.212 -1.625 -2.702 217 2HG1 VAL 34 2HG1 VAL 34 -4.101 -0.304 -3.072 218 3HG1 VAL 34 3HG1 VAL 34 -5.427 -0.679 -4.174 219 1HG2 VAL 34 1HG2 VAL 34 -6.239 -0.614 -0.474 220 2HG2 VAL 34 2HG2 VAL 34 -6.153 1.146 -0.410 221 3HG2 VAL 34 3HG2 VAL 34 -4.695 0.203 -0.714 222 H VAL 35 H VAL 35 -4.312 1.151 -4.821 223 HA VAL 35 HA VAL 35 -6.427 1.229 -6.820 224 HB VAL 35 HB VAL 35 -5.196 3.444 -6.856 225 1HG1 VAL 35 1HG1 VAL 35 -3.086 3.668 -7.688 226 2HG1 VAL 35 2HG1 VAL 35 -3.054 2.027 -8.335 227 3HG1 VAL 35 3HG1 VAL 35 -2.956 2.299 -6.602 228 1HG2 VAL 35 1HG2 VAL 35 -6.552 2.316 -8.723 229 2HG2 VAL 35 2HG2 VAL 35 -4.983 2.008 -9.468 230 3HG2 VAL 35 3HG2 VAL 35 -5.498 3.665 -9.152 231 H ASP 36 H ASP 36 -2.987 0.515 -6.210 232 HA ASP 36 HA ASP 36 -3.283 -2.130 -7.259 233 1HB ASP 36 2HB ASP 36 -2.948 -0.709 -9.314 234 2HB ASP 36 1HB ASP 36 -1.366 -0.271 -8.678 235 H GLU 37 H GLU 37 -1.186 -3.360 -7.074 236 HA GLU 37 HA GLU 37 0.613 -2.166 -5.070 237 1HB GLU 37 2HB GLU 37 -0.471 -4.990 -5.043 238 2HB GLU 37 1HB GLU 37 0.742 -4.358 -3.937 239 1HG GLU 37 2HG GLU 37 -0.881 -2.749 -3.076 240 2HG GLU 37 1HG GLU 37 -2.096 -3.383 -4.186 241 H THR 38 H THR 38 2.767 -2.438 -5.463 242 HA THR 38 HA THR 38 3.504 -4.335 -7.597 243 HB THR 38 HB THR 38 4.775 -1.646 -7.069 244 HG1 THR 38 1HG THR 38 2.881 -2.495 -8.986 245 1HG2 THR 38 1HG2 THR 38 6.147 -3.534 -8.163 246 2HG2 THR 38 2HG2 THR 38 6.108 -1.947 -8.927 247 3HG2 THR 38 3HG2 THR 38 5.110 -3.255 -9.560 248 H ARG 39 H ARG 39 5.483 -5.396 -7.411 249 HA ARG 39 HA ARG 39 6.254 -6.248 -4.898 250 1HB ARG 39 2HB ARG 39 6.738 -7.307 -7.156 251 2HB ARG 39 1HB ARG 39 8.103 -6.208 -7.257 252 1HG ARG 39 2HG ARG 39 8.991 -8.225 -6.465 253 2HG ARG 39 1HG ARG 39 8.873 -7.188 -5.044 254 1HD ARG 39 2HD ARG 39 6.780 -9.211 -5.819 255 2HD ARG 39 1HD ARG 39 8.111 -9.560 -4.719 256 HE ARG 39 HE ARG 39 6.893 -7.335 -3.685 257 1HH1 ARG 39 1HH1 ARG 39 5.902 -10.582 -4.490 258 2HH1 ARG 39 2HH1 ARG 39 4.681 -10.646 -3.264 259 1HH2 ARG 39 1HH2 ARG 39 5.284 -7.415 -2.076 260 2HH2 ARG 39 2HH2 ARG 39 4.328 -8.848 -1.897 261 H ASN 40 H ASN 40 7.124 -3.312 -6.479 262 HA ASN 40 HA ASN 40 9.028 -2.793 -4.308 263 1HB ASN 40 2HB ASN 40 10.549 -1.645 -5.787 264 2HB ASN 40 1HB ASN 40 10.293 -3.283 -6.359 265 1HD2 ASN 40 1HD2 ASN 40 7.510 -1.792 -7.208 266 2HD2 ASN 40 2HD2 ASN 40 7.946 -1.230 -8.773 267 H THR 41 H THR 41 6.141 -1.840 -5.484 268 HA THR 41 HA THR 41 6.400 0.722 -4.198 269 HB THR 41 HB THR 41 7.197 1.249 -6.474 270 HG1 THR 41 1HG THR 41 4.637 2.353 -5.968 271 1HG2 THR 41 1HG2 THR 41 4.459 0.346 -7.313 272 2HG2 THR 41 2HG2 THR 41 6.016 -0.285 -7.856 273 3HG2 THR 41 3HG2 THR 41 5.522 1.348 -8.302 274 H LEU 42 H LEU 42 4.383 1.844 -3.966 275 HA LEU 42 HA LEU 42 2.073 0.023 -4.079 276 1HB LEU 42 2HB LEU 42 2.957 0.656 -1.789 277 2HB LEU 42 1HB LEU 42 2.486 2.298 -2.141 278 HG LEU 42 HG LEU 42 0.869 1.064 -0.712 279 1HD1 LEU 42 1HD1 LEU 42 -0.830 2.281 -1.542 280 2HD1 LEU 42 2HD1 LEU 42 -0.722 1.528 -3.132 281 3HD1 LEU 42 3HD1 LEU 42 0.363 2.850 -2.708 282 1HD2 LEU 42 1HD2 LEU 42 1.302 -1.038 -2.369 283 2HD2 LEU 42 2HD2 LEU 42 -0.223 -0.422 -3.005 284 3HD2 LEU 42 3HD2 LEU 42 -0.099 -0.884 -1.308 285 H ARG 43 H ARG 43 0.176 0.770 -4.908 286 HA ARG 43 HA ARG 43 0.216 3.518 -5.957 287 1HB ARG 43 2HB ARG 43 0.216 1.273 -7.454 288 2HB ARG 43 1HB ARG 43 -1.511 1.480 -7.255 289 1HG ARG 43 2HG ARG 43 -1.345 3.738 -8.196 290 2HG ARG 43 1HG ARG 43 0.395 3.534 -8.360 291 1HD ARG 43 2HD ARG 43 -0.027 1.587 -9.849 292 2HD ARG 43 1HD ARG 43 -1.749 1.950 -9.771 293 HE ARG 43 HE ARG 43 0.174 3.223 -11.410 294 1HH1 ARG 43 1HH1 ARG 43 -2.721 3.857 -9.571 295 2HH1 ARG 43 2HH1 ARG 43 -3.150 5.259 -10.490 296 1HH2 ARG 43 1HH2 ARG 43 -0.390 5.062 -12.625 297 2HH2 ARG 43 2HH2 ARG 43 -1.828 5.941 -12.226 298 H ILE 44 H ILE 44 -1.320 4.810 -5.179 299 HA ILE 44 HA ILE 44 -3.482 3.631 -3.567 300 HB ILE 44 HB ILE 44 -2.022 6.259 -3.397 301 1HG1 ILE 44 2HG1 ILE 44 -2.364 3.956 -1.474 302 2HG1 ILE 44 1HG1 ILE 44 -0.908 4.359 -2.378 303 1HG2 ILE 44 1HG2 ILE 44 -4.711 6.049 -2.811 304 2HG2 ILE 44 2HG2 ILE 44 -3.601 7.284 -2.231 305 3HG2 ILE 44 3HG2 ILE 44 -3.918 5.859 -1.250 306 1HD1 ILE 44 1HD1 ILE 44 -0.553 5.129 -0.192 307 2HD1 ILE 44 2HD1 ILE 44 -2.155 5.859 -0.102 308 3HD1 ILE 44 3HD1 ILE 44 -0.921 6.565 -1.146 309 H GLU 45 H GLU 45 -5.538 3.764 -4.321 310 HA GLU 45 HA GLU 45 -6.243 6.197 -5.793 311 1HB GLU 45 2HB GLU 45 -6.235 4.575 -7.530 312 2HB GLU 45 1HB GLU 45 -7.070 3.386 -6.538 313 1HG GLU 45 2HG GLU 45 -9.078 4.788 -6.585 314 2HG GLU 45 1HG GLU 45 -8.227 5.960 -7.589 315 H MET 46 H MET 46 -8.149 7.047 -5.380 316 HA MET 46 HA MET 46 -9.689 5.982 -3.115 317 1HB MET 46 2HB MET 46 -9.137 8.827 -3.977 318 2HB MET 46 1HB MET 46 -10.295 8.400 -2.727 319 1HG MET 46 2HG MET 46 -8.619 7.643 -1.276 320 2HG MET 46 1HG MET 46 -7.420 7.569 -2.565 321 1HE MET 46 1HE MET 46 -6.207 9.090 -3.473 322 2HE MET 46 2HE MET 46 -5.485 10.314 -2.427 323 3HE MET 46 3HE MET 46 -6.668 10.785 -3.644 324 H ASP 47 H ASP 47 -11.754 5.503 -3.463 325 HA ASP 47 HA ASP 47 -12.974 5.292 -5.873 326 1HB ASP 47 2HB ASP 47 -13.866 4.308 -3.812 327 2HB ASP 47 1HB ASP 47 -14.356 5.905 -3.257 328 H ASP 48 H ASP 48 -12.650 8.189 -4.007 329 HA ASP 48 HA ASP 48 -14.669 9.740 -5.183 330 1HB ASP 48 2HB ASP 48 -11.998 10.619 -4.069 331 2HB ASP 48 1HB ASP 48 -13.354 11.688 -4.415 332 H GLY 49 H GLY 49 -11.866 8.451 -6.565 333 1HA GLY 49 2HA GLY 49 -11.508 8.567 -8.916 334 2HA GLY 49 1HA GLY 49 -12.212 10.176 -8.913 335 H ARG 50 H ARG 50 -9.978 9.383 -6.424 336 HA ARG 50 HA ARG 50 -7.991 11.147 -7.687 337 1HB ARG 50 2HB ARG 50 -8.295 10.385 -4.780 338 2HB ARG 50 1HB ARG 50 -7.114 11.514 -5.428 339 1HG ARG 50 2HG ARG 50 -10.105 11.856 -5.465 340 2HG ARG 50 1HG ARG 50 -8.967 12.696 -4.410 341 1HD ARG 50 2HD ARG 50 -7.913 13.723 -6.360 342 2HD ARG 50 1HD ARG 50 -9.032 12.871 -7.422 343 HE ARG 50 HE ARG 50 -10.516 14.357 -5.572 344 1HH1 ARG 50 1HH1 ARG 50 -8.377 14.866 -8.280 345 2HH1 ARG 50 2HH1 ARG 50 -9.102 16.372 -8.731 346 1HH2 ARG 50 1HH2 ARG 50 -11.473 16.339 -6.161 347 2HH2 ARG 50 2HH2 ARG 50 -10.859 17.210 -7.527 348 H GLU 51 H GLU 51 -5.691 10.625 -7.326 349 HA GLU 51 HA GLU 51 -5.084 7.865 -6.682 350 1HB GLU 51 2HB GLU 51 -4.569 8.996 -9.435 351 2HB GLU 51 1HB GLU 51 -3.934 7.467 -8.844 352 1HG GLU 51 2HG GLU 51 -6.215 6.626 -8.583 353 2HG GLU 51 1HG GLU 51 -6.843 8.157 -9.189 354 H ILE 52 H ILE 52 -3.028 7.549 -6.016 355 HA ILE 52 HA ILE 52 -0.920 9.458 -6.523 356 HB ILE 52 HB ILE 52 -2.085 10.530 -4.644 357 1HG1 ILE 52 2HG1 ILE 52 -0.154 10.701 -3.102 358 2HG1 ILE 52 1HG1 ILE 52 0.572 9.295 -3.879 359 1HG2 ILE 52 1HG2 ILE 52 -2.938 8.304 -3.749 360 2HG2 ILE 52 2HG2 ILE 52 -2.446 9.516 -2.567 361 3HG2 ILE 52 3HG2 ILE 52 -1.377 8.164 -2.944 362 1HD1 ILE 52 1HD1 ILE 52 0.662 10.551 -6.005 363 2HD1 ILE 52 2HD1 ILE 52 1.591 11.325 -4.719 364 3HD1 ILE 52 3HD1 ILE 52 0.010 11.962 -5.175 365 H THR 53 H THR 53 1.179 8.658 -5.831 366 HA THR 53 HA THR 53 1.163 5.743 -5.474 367 HB THR 53 HB THR 53 2.225 6.610 -7.513 368 HG1 THR 53 1HG THR 53 4.083 5.513 -5.672 369 1HG2 THR 53 1HG2 THR 53 4.629 7.586 -6.202 370 2HG2 THR 53 2HG2 THR 53 3.226 8.628 -5.971 371 3HG2 THR 53 3HG2 THR 53 3.758 8.215 -7.600 372 H VAL 54 H VAL 54 2.723 4.728 -4.117 373 HA VAL 54 HA VAL 54 4.123 6.380 -2.167 374 HB VAL 54 HB VAL 54 2.171 4.235 -1.315 375 1HG1 VAL 54 1HG1 VAL 54 4.143 4.323 0.117 376 2HG1 VAL 54 2HG1 VAL 54 2.730 4.948 0.968 377 3HG1 VAL 54 3HG1 VAL 54 3.935 6.062 0.320 378 1HG2 VAL 54 1HG2 VAL 54 2.042 7.236 -1.248 379 2HG2 VAL 54 2HG2 VAL 54 1.091 6.240 -0.146 380 3HG2 VAL 54 3HG2 VAL 54 0.860 6.095 -1.889 381 HA PRO 55 HA PRO 55 7.191 3.234 -2.901 382 1HB PRO 55 2HB PRO 55 8.335 4.017 -0.295 383 2HB PRO 55 1HB PRO 55 9.052 4.088 -1.907 384 1HG PRO 55 2HG PRO 55 8.292 6.308 -0.621 385 2HG PRO 55 1HG PRO 55 8.111 6.147 -2.379 386 1HD PRO 55 2HD PRO 55 6.044 5.864 -0.226 387 2HD PRO 55 1HD PRO 55 5.925 6.665 -1.809 388 H LYS 56 H LYS 56 7.353 1.124 -2.498 389 HA LYS 56 HA LYS 56 6.088 0.032 -0.085 390 1HB LYS 56 2HB LYS 56 6.657 -1.095 -2.805 391 2HB LYS 56 1HB LYS 56 6.371 -2.168 -1.446 392 1HG LYS 56 2HG LYS 56 4.475 -0.017 -2.320 393 2HG LYS 56 1HG LYS 56 4.370 -1.695 -2.842 394 1HD LYS 56 2HD LYS 56 4.306 -0.825 0.044 395 2HD LYS 56 1HD LYS 56 2.860 -1.069 -0.935 396 1HE LYS 56 2HE LYS 56 3.145 -3.075 0.252 397 2HE LYS 56 1HE LYS 56 3.735 -3.413 -1.373 398 1HZ LYS 56 1HZ LYS 56 5.788 -2.454 0.383 399 2HZ LYS 56 2HZ LYS 56 5.767 -3.828 -0.604 400 3HZ LYS 56 3HZ LYS 56 5.074 -3.884 0.937 401 H GLY 57 H GLY 57 9.143 0.827 -1.089 402 1HA GLY 57 2HA GLY 57 10.767 -1.340 -0.653 403 2HA GLY 57 1HA GLY 57 11.214 0.304 -0.233 404 H ILE 58 H ILE 58 9.569 0.863 1.881 405 HA ILE 58 HA ILE 58 9.679 -1.255 3.818 406 HB ILE 58 HB ILE 58 11.271 1.252 4.371 407 1HG1 ILE 58 2HG1 ILE 58 13.243 -0.393 4.431 408 2HG1 ILE 58 1HG1 ILE 58 12.206 -1.491 3.531 409 1HG2 ILE 58 1HG2 ILE 58 10.096 -0.027 6.243 410 2HG2 ILE 58 2HG2 ILE 58 11.810 0.332 6.446 411 3HG2 ILE 58 3HG2 ILE 58 11.298 -1.286 5.966 412 1HD1 ILE 58 1HD1 ILE 58 13.034 -0.542 1.709 413 2HD1 ILE 58 2HD1 ILE 58 13.742 0.785 2.630 414 3HD1 ILE 58 3HD1 ILE 58 12.061 0.870 2.111 415 H ALA 59 H ALA 59 7.393 -0.406 3.172 416 HA ALA 59 HA ALA 59 6.692 1.706 5.091 417 1HB ALA 59 1HB ALA 59 4.736 2.154 3.470 418 2HB ALA 59 2HB ALA 59 5.744 1.302 2.299 419 3HB ALA 59 3HB ALA 59 6.345 2.764 3.079 420 H VAL 60 H VAL 60 5.644 0.852 6.779 421 HA VAL 60 HA VAL 60 3.949 -1.483 6.441 422 HB VAL 60 HB VAL 60 5.357 -1.315 8.452 423 1HG1 VAL 60 1HG1 VAL 60 5.404 0.443 9.852 424 2HG1 VAL 60 2HG1 VAL 60 3.662 0.701 9.752 425 3HG1 VAL 60 3HG1 VAL 60 4.719 1.318 8.482 426 1HG2 VAL 60 1HG2 VAL 60 2.383 -1.250 8.938 427 2HG2 VAL 60 2HG2 VAL 60 3.571 -1.773 10.132 428 3HG2 VAL 60 3HG2 VAL 60 3.385 -2.666 8.623 429 H PHE 61 H PHE 61 1.781 -1.413 6.147 430 HA PHE 61 HA PHE 61 0.262 0.836 7.135 431 1HB PHE 61 2HB PHE 61 -0.753 1.267 4.856 432 2HB PHE 61 1HB PHE 61 0.897 1.827 5.084 433 HD1 PHE 61 1HD PHE 61 2.365 1.467 3.388 434 HD2 PHE 61 2HD PHE 61 -0.882 -1.239 3.888 435 HE1 PHE 61 1HE PHE 61 3.066 0.263 1.363 436 HE2 PHE 61 2HE PHE 61 -0.179 -2.451 1.861 437 HZ PHE 61 HZ PHE 61 1.793 -1.700 0.599 438 H HIS 62 H HIS 62 -1.932 0.466 7.296 439 HA HIS 62 HA HIS 62 -2.750 -2.319 6.784 440 1HB HIS 62 2HB HIS 62 -3.870 -0.503 8.919 441 2HB HIS 62 1HB HIS 62 -4.084 -2.241 8.763 442 HD1 HIS 62 1HD HIS 62 -1.405 -3.407 8.695 443 HD2 HIS 62 2HD HIS 62 -2.203 -0.029 10.973 444 HE1 HIS 62 1HE HIS 62 0.391 -3.345 10.451 445 HE2 HIS 62 2HE HIS 62 -0.167 -1.342 11.876 446 H PHE 63 H PHE 63 -4.795 -2.714 5.949 447 HA PHE 63 HA PHE 63 -6.041 -0.418 4.635 448 1HB PHE 63 2HB PHE 63 -6.433 -3.389 4.231 449 2HB PHE 63 1HB PHE 63 -7.296 -2.143 3.341 450 HD1 PHE 63 1HD PHE 63 -3.705 -2.634 4.262 451 HD2 PHE 63 2HD PHE 63 -6.576 -2.042 1.178 452 HE1 PHE 63 1HE PHE 63 -1.902 -2.565 2.602 453 HE2 PHE 63 2HE PHE 63 -4.770 -1.977 -0.492 454 HZ PHE 63 HZ PHE 63 -2.428 -2.238 0.219 455 H ARG 64 H ARG 64 -8.314 -0.078 4.712 456 HA ARG 64 HA ARG 64 -9.779 -1.458 6.829 457 1HB ARG 64 2HB ARG 64 -8.642 0.657 7.712 458 2HB ARG 64 1HB ARG 64 -9.736 1.557 6.674 459 1HG ARG 64 2HG ARG 64 -10.614 -0.334 8.847 460 2HG ARG 64 1HG ARG 64 -10.474 1.413 9.030 461 1HD ARG 64 2HD ARG 64 -12.103 1.654 7.143 462 2HD ARG 64 1HD ARG 64 -12.327 -0.092 7.192 463 HE ARG 64 HE ARG 64 -13.730 0.215 8.947 464 1HH1 ARG 64 1HH1 ARG 64 -11.577 2.960 8.808 465 2HH1 ARG 64 2HH1 ARG 64 -12.302 3.753 10.166 466 1HH2 ARG 64 1HH2 ARG 64 -14.688 1.261 10.727 467 2HH2 ARG 64 2HH2 ARG 64 -14.069 2.791 11.255 468 H THR 65 H THR 65 -11.694 -2.048 6.060 469 HA THR 65 HA THR 65 -12.745 -0.696 3.685 470 HB THR 65 HB THR 65 -13.591 -3.312 4.949 471 HG1 THR 65 1HG THR 65 -12.125 -4.233 3.759 472 1HG2 THR 65 1HG2 THR 65 -15.039 -1.836 3.178 473 2HG2 THR 65 2HG2 THR 65 -15.135 -3.586 3.370 474 3HG2 THR 65 3HG2 THR 65 -14.112 -2.892 2.112 475 HA PRO 66 HA PRO 66 -15.752 1.591 6.020 476 1HB PRO 66 2HB PRO 66 -17.762 1.442 4.061 477 2HB PRO 66 1HB PRO 66 -16.554 2.717 4.227 478 1HG PRO 66 2HG PRO 66 -16.571 0.346 2.427 479 2HG PRO 66 1HG PRO 66 -15.942 1.977 2.136 480 1HD PRO 66 2HD PRO 66 -14.300 -0.074 2.640 481 2HD PRO 66 1HD PRO 66 -13.963 1.550 3.278 482 H GLN 67 H GLN 67 -16.407 -1.524 4.580 483 HA GLN 67 HA GLN 67 -18.916 -1.990 5.806 484 1HB GLN 67 2HB GLN 67 -16.848 -3.974 4.843 485 2HB GLN 67 1HB GLN 67 -18.517 -4.357 5.243 486 1HG GLN 67 2HG GLN 67 -17.601 -2.530 3.033 487 2HG GLN 67 1HG GLN 67 -18.205 -4.176 2.844 488 1HE2 GLN 67 1HE2 GLN 67 -19.033 -1.049 2.538 489 2HE2 GLN 67 2HE2 GLN 67 -20.742 -1.160 2.759 490 H GLY 68 H GLY 68 -15.786 -1.832 7.092 491 1HA GLY 68 2HA GLY 68 -15.485 -1.850 9.468 492 2HA GLY 68 1HA GLY 68 -16.757 -3.057 9.583 493 H GLU 69 H GLU 69 -13.861 -2.928 7.517 494 HA GLU 69 HA GLU 69 -12.948 -5.405 8.834 495 1HB GLU 69 2HB GLU 69 -12.726 -4.748 5.892 496 2HB GLU 69 1HB GLU 69 -12.094 -6.190 6.674 497 1HG GLU 69 2HG GLU 69 -14.996 -5.423 6.454 498 2HG GLU 69 1HG GLU 69 -14.168 -6.663 5.511 499 H LEU 70 H LEU 70 -10.765 -5.638 9.183 500 HA LEU 70 HA LEU 70 -9.074 -3.329 8.489 501 1HB LEU 70 2HB LEU 70 -9.709 -3.183 10.834 502 2HB LEU 70 1HB LEU 70 -9.147 -4.821 11.109 503 HG LEU 70 HG LEU 70 -6.840 -4.106 10.602 504 1HD1 LEU 70 1HD1 LEU 70 -8.054 -1.347 10.447 505 2HD1 LEU 70 2HD1 LEU 70 -7.349 -2.249 9.107 506 3HD1 LEU 70 3HD1 LEU 70 -6.329 -1.716 10.443 507 1HD2 LEU 70 1HD2 LEU 70 -6.493 -2.797 12.649 508 2HD2 LEU 70 2HD2 LEU 70 -7.615 -4.133 12.911 509 3HD2 LEU 70 3HD2 LEU 70 -8.228 -2.489 12.741 510 H VAL 71 H VAL 71 -7.472 -3.945 7.209 511 HA VAL 71 HA VAL 71 -6.286 -6.616 7.621 512 HB VAL 71 HB VAL 71 -6.440 -5.098 5.012 513 1HG1 VAL 71 1HG1 VAL 71 -5.696 -7.306 4.072 514 2HG1 VAL 71 2HG1 VAL 71 -5.349 -7.810 5.726 515 3HG1 VAL 71 3HG1 VAL 71 -4.484 -6.445 5.019 516 1HG2 VAL 71 1HG2 VAL 71 -8.637 -5.846 5.535 517 2HG2 VAL 71 2HG2 VAL 71 -8.044 -7.423 6.052 518 3HG2 VAL 71 3HG2 VAL 71 -7.977 -6.972 4.349 519 H GLU 72 H GLU 72 -3.978 -6.779 7.074 520 HA GLU 72 HA GLU 72 -2.577 -4.208 7.412 521 1HB GLU 72 2HB GLU 72 -0.907 -5.379 8.787 522 2HB GLU 72 1HB GLU 72 -2.511 -5.456 9.500 523 1HG GLU 72 2HG GLU 72 -2.779 -7.730 8.649 524 2HG GLU 72 1HG GLU 72 -1.168 -7.651 7.938 525 H ILE 73 H ILE 73 -0.583 -3.948 6.392 526 HA ILE 73 HA ILE 73 0.443 -6.085 4.708 527 HB ILE 73 HB ILE 73 -0.437 -3.440 3.543 528 1HG1 ILE 73 2HG1 ILE 73 -2.281 -5.047 3.900 529 2HG1 ILE 73 1HG1 ILE 73 -1.979 -4.754 2.190 530 1HG2 ILE 73 1HG2 ILE 73 1.230 -5.671 2.451 531 2HG2 ILE 73 2HG2 ILE 73 1.512 -3.931 2.386 532 3HG2 ILE 73 3HG2 ILE 73 0.265 -4.662 1.374 533 1HD1 ILE 73 1HD1 ILE 73 -0.997 -6.861 1.892 534 2HD1 ILE 73 2HD1 ILE 73 -2.410 -7.153 2.909 535 3HD1 ILE 73 3HD1 ILE 73 -0.799 -7.110 3.626 536 H ASP 74 H ASP 74 2.484 -6.116 5.410 537 HA ASP 74 HA ASP 74 3.806 -3.755 6.357 538 1HB ASP 74 2HB ASP 74 4.142 -6.063 7.297 539 2HB ASP 74 1HB ASP 74 5.030 -6.465 5.830 540 H GLY 75 H GLY 75 5.212 -2.462 5.349 541 1HA GLY 75 2HA GLY 75 5.646 -2.885 2.505 542 2HA GLY 75 1HA GLY 75 5.929 -1.405 3.380 543 H ARG 76 H ARG 76 7.440 -3.416 5.358 544 HA ARG 76 HA ARG 76 9.984 -2.936 4.075 545 1HB ARG 76 2HB ARG 76 11.004 -3.467 6.190 546 2HB ARG 76 1HB ARG 76 9.669 -2.360 6.462 547 1HG ARG 76 2HG ARG 76 8.267 -4.221 7.171 548 2HG ARG 76 1HG ARG 76 9.599 -5.338 6.889 549 1HD ARG 76 2HD ARG 76 10.927 -4.181 8.581 550 2HD ARG 76 1HD ARG 76 9.604 -3.047 8.852 551 HE ARG 76 HE ARG 76 8.641 -5.650 9.228 552 1HH1 ARG 76 1HH1 ARG 76 10.834 -3.387 10.728 553 2HH1 ARG 76 2HH1 ARG 76 10.602 -4.026 12.320 554 1HH2 ARG 76 1HH2 ARG 76 8.333 -6.490 11.321 555 2HH2 ARG 76 2HH2 ARG 76 9.181 -5.788 12.657 556 H ALA 77 H ALA 77 8.015 -5.590 5.123 557 HA ALA 77 HA ALA 77 9.930 -7.617 4.501 558 1HB ALA 77 1HB ALA 77 7.662 -9.014 4.700 559 2HB ALA 77 2HB ALA 77 7.167 -7.541 5.532 560 3HB ALA 77 3HB ALA 77 8.568 -8.447 6.103 561 H LEU 78 H LEU 78 8.254 -5.660 2.497 562 HA LEU 78 HA LEU 78 8.037 -7.722 0.418 563 1HB LEU 78 2HB LEU 78 6.300 -5.306 0.879 564 2HB LEU 78 1HB LEU 78 6.289 -6.223 -0.613 565 HG LEU 78 HG LEU 78 4.426 -6.869 0.824 566 1HD1 LEU 78 1HD1 LEU 78 5.884 -9.327 1.170 567 2HD1 LEU 78 2HD1 LEU 78 6.257 -8.594 -0.389 568 3HD1 LEU 78 3HD1 LEU 78 4.582 -8.942 0.046 569 1HD2 LEU 78 1HD2 LEU 78 4.584 -7.310 3.016 570 2HD2 LEU 78 2HD2 LEU 78 6.139 -6.486 2.913 571 3HD2 LEU 78 3HD2 LEU 78 6.066 -8.245 2.821 572 H VAL 79 H VAL 79 10.381 -6.601 0.837 573 HA VAL 79 HA VAL 79 11.149 -4.230 -0.279 574 HB VAL 79 HB VAL 79 12.626 -6.850 -0.585 575 1HG1 VAL 79 1HG1 VAL 79 14.634 -5.302 -0.462 576 2HG1 VAL 79 2HG1 VAL 79 13.504 -3.981 -0.765 577 3HG1 VAL 79 3HG1 VAL 79 13.699 -5.266 -1.957 578 1HG2 VAL 79 1HG2 VAL 79 13.801 -5.664 1.515 579 2HG2 VAL 79 2HG2 VAL 79 12.471 -6.812 1.669 580 3HG2 VAL 79 3HG2 VAL 79 12.152 -5.079 1.728 581 H ALA 80 H ALA 80 12.252 -3.801 -2.356 582 HA ALA 80 HA ALA 80 10.630 -3.947 -4.535 583 1HB ALA 80 1HB ALA 80 12.706 -2.552 -4.228 584 2HB ALA 80 2HB ALA 80 12.448 -3.203 -5.844 585 3HB ALA 80 3HB ALA 80 13.624 -3.954 -4.771 586 H ARG 81 H ARG 81 11.004 -5.087 -6.675 587 HA ARG 81 HA ARG 81 10.864 -7.876 -6.183 588 1HB ARG 81 2HB ARG 81 10.850 -8.010 -8.743 589 2HB ARG 81 1HB ARG 81 9.510 -7.219 -7.940 590 1HG ARG 81 2HG ARG 81 11.712 -5.450 -8.710 591 2HG ARG 81 1HG ARG 81 10.847 -6.202 -10.053 592 1HD ARG 81 2HD ARG 81 8.717 -5.435 -8.843 593 2HD ARG 81 1HD ARG 81 9.781 -4.394 -7.900 594 HE ARG 81 HE ARG 81 9.853 -2.988 -9.687 595 1HH1 ARG 81 1HH1 ARG 81 9.029 -6.175 -10.847 596 2HH1 ARG 81 2HH1 ARG 81 8.796 -5.656 -12.482 597 1HH2 ARG 81 1HH2 ARG 81 9.535 -2.303 -11.835 598 2HH2 ARG 81 2HH2 ARG 81 9.082 -3.459 -13.043 599 HA PRO 82 HA PRO 82 15.276 -8.632 -6.169 600 1HB PRO 82 2HB PRO 82 14.320 -11.420 -6.486 601 2HB PRO 82 1HB PRO 82 15.454 -10.744 -5.312 602 1HG PRO 82 2HG PRO 82 12.975 -11.370 -4.586 603 2HG PRO 82 1HG PRO 82 13.762 -9.907 -3.961 604 1HD PRO 82 2HD PRO 82 11.682 -10.180 -6.091 605 2HD PRO 82 1HD PRO 82 11.860 -8.933 -4.839 606 H GLU 83 H GLU 83 13.566 -10.952 -8.224 607 HA GLU 83 HA GLU 83 15.610 -10.490 -10.275 608 1HB GLU 83 2HB GLU 83 13.729 -12.823 -9.941 609 2HB GLU 83 1HB GLU 83 14.980 -12.685 -11.170 610 1HG GLU 83 2HG GLU 83 15.444 -12.777 -8.197 611 2HG GLU 83 1HG GLU 83 15.664 -14.119 -9.319 612 H GLU 84 H GLU 84 12.257 -9.966 -9.743 613 HA GLU 84 HA GLU 84 11.254 -10.220 -12.336 614 1HB GLU 84 2HB GLU 84 10.408 -8.083 -10.385 615 2HB GLU 84 1HB GLU 84 9.457 -8.770 -11.688 616 1HG GLU 84 2HG GLU 84 9.444 -10.929 -10.548 617 2HG GLU 84 1HG GLU 84 10.385 -10.234 -9.228 618 H ARG 85 H ARG 85 12.874 -7.472 -10.794 619 HA ARG 85 HA ARG 85 13.945 -6.552 -13.249 620 1HB ARG 85 2HB ARG 85 11.643 -5.772 -13.603 621 2HB ARG 85 1HB ARG 85 11.705 -4.888 -12.083 622 1HG ARG 85 2HG ARG 85 13.515 -3.497 -12.980 623 2HG ARG 85 1HG ARG 85 13.408 -4.365 -14.512 624 1HD ARG 85 2HD ARG 85 11.087 -3.620 -14.765 625 2HD ARG 85 1HD ARG 85 11.205 -2.749 -13.237 626 HE ARG 85 HE ARG 85 12.085 -1.840 -15.765 627 1HH1 ARG 85 1HH1 ARG 85 12.938 -1.786 -12.378 628 2HH1 ARG 85 2HH1 ARG 85 13.853 -0.322 -12.505 629 1HH2 ARG 85 1HH2 ARG 85 13.282 0.089 -15.929 630 2HH2 ARG 85 2HH2 ARG 85 14.046 0.744 -14.519 631 H ILE 86 H ILE 86 12.846 -5.304 -10.095 632 HA ILE 86 HA ILE 86 14.882 -3.450 -9.746 633 HB ILE 86 HB ILE 86 13.359 -4.922 -7.613 634 1HG1 ILE 86 2HG1 ILE 86 11.966 -3.621 -9.190 635 2HG1 ILE 86 1HG1 ILE 86 11.953 -2.916 -7.580 636 1HG2 ILE 86 1HG2 ILE 86 14.865 -4.012 -6.228 637 2HG2 ILE 86 2HG2 ILE 86 14.091 -2.471 -6.602 638 3HG2 ILE 86 3HG2 ILE 86 15.526 -2.975 -7.491 639 1HD1 ILE 86 1HD1 ILE 86 12.540 -1.658 -10.005 640 2HD1 ILE 86 2HD1 ILE 86 14.064 -1.759 -9.125 641 3HD1 ILE 86 3HD1 ILE 86 12.664 -0.985 -8.380 Start of MODEL 11 1 H ARG 9 H ARG 9 -16.406 -7.059 -5.888 2 HA ARG 9 HA ARG 9 -14.460 -5.035 -5.318 3 1HB ARG 9 2HB ARG 9 -13.351 -6.252 -3.472 4 2HB ARG 9 1HB ARG 9 -14.951 -5.674 -3.031 5 1HG ARG 9 2HG ARG 9 -15.862 -7.913 -3.382 6 2HG ARG 9 1HG ARG 9 -14.257 -8.494 -3.828 7 1HD ARG 9 2HD ARG 9 -14.795 -9.035 -1.506 8 2HD ARG 9 1HD ARG 9 -13.420 -7.937 -1.614 9 HE ARG 9 HE ARG 9 -15.733 -6.403 -1.308 10 1HH1 ARG 9 1HH1 ARG 9 -13.838 -8.701 0.512 11 2HH1 ARG 9 2HH1 ARG 9 -14.266 -8.025 2.047 12 1HH2 ARG 9 1HH2 ARG 9 -16.294 -5.515 0.709 13 2HH2 ARG 9 2HH2 ARG 9 -15.663 -6.218 2.160 14 H HIS 10 H HIS 10 -13.045 -5.354 -6.903 15 HA HIS 10 HA HIS 10 -12.367 -8.129 -7.640 16 1HB HIS 10 2HB HIS 10 -12.447 -5.662 -9.387 17 2HB HIS 10 1HB HIS 10 -11.847 -7.231 -9.907 18 HD1 HIS 10 1HD HIS 10 -13.990 -6.394 -11.627 19 HD2 HIS 10 2HD HIS 10 -14.837 -8.140 -7.953 20 HE1 HIS 10 1HE HIS 10 -16.341 -7.262 -11.821 21 HE2 HIS 10 2HE HIS 10 -16.860 -8.242 -9.559 22 H GLU 11 H GLU 11 -10.248 -8.682 -7.917 23 HA GLU 11 HA GLU 11 -7.991 -8.624 -7.682 24 1HB GLU 11 2HB GLU 11 -8.352 -5.672 -8.229 25 2HB GLU 11 1HB GLU 11 -6.811 -6.520 -8.229 26 1HG GLU 11 2HG GLU 11 -9.119 -7.038 -10.091 27 2HG GLU 11 1HG GLU 11 -7.630 -6.178 -10.487 28 H LEU 12 H LEU 12 -8.729 -5.419 -6.328 29 HA LEU 12 HA LEU 12 -8.645 -6.162 -3.627 30 1HB LEU 12 2HB LEU 12 -6.331 -6.752 -4.067 31 2HB LEU 12 1HB LEU 12 -6.026 -5.162 -4.742 32 HG LEU 12 HG LEU 12 -6.443 -4.155 -2.524 33 1HD1 LEU 12 1HD1 LEU 12 -7.951 -5.814 -1.610 34 2HD1 LEU 12 2HD1 LEU 12 -6.551 -5.619 -0.556 35 3HD1 LEU 12 3HD1 LEU 12 -6.665 -7.022 -1.619 36 1HD2 LEU 12 1HD2 LEU 12 -4.170 -4.975 -3.350 37 2HD2 LEU 12 2HD2 LEU 12 -4.390 -6.324 -2.237 38 3HD2 LEU 12 3HD2 LEU 12 -4.346 -4.673 -1.621 39 H ILE 13 H ILE 13 -8.321 -3.753 -6.103 40 HA ILE 13 HA ILE 13 -8.207 -1.431 -4.574 41 HB ILE 13 HB ILE 13 -9.545 -1.879 -7.246 42 1HG1 ILE 13 2HG1 ILE 13 -7.514 -0.668 -8.082 43 2HG1 ILE 13 1HG1 ILE 13 -6.855 -0.741 -6.453 44 1HG2 ILE 13 1HG2 ILE 13 -9.017 0.678 -5.746 45 2HG2 ILE 13 2HG2 ILE 13 -10.567 0.060 -6.318 46 3HG2 ILE 13 3HG2 ILE 13 -9.358 0.615 -7.476 47 1HD1 ILE 13 1HD1 ILE 13 -6.540 -3.038 -6.557 48 2HD1 ILE 13 2HD1 ILE 13 -6.090 -2.476 -8.168 49 3HD1 ILE 13 3HD1 ILE 13 -7.664 -3.228 -7.904 50 H GLY 14 H GLY 14 -9.892 0.106 -4.049 51 1HA GLY 14 2HA GLY 14 -12.204 0.639 -3.689 52 2HA GLY 14 1HA GLY 14 -12.561 -1.082 -3.699 53 H LEU 15 H LEU 15 -9.797 -0.755 -1.956 54 HA LEU 15 HA LEU 15 -11.283 -0.655 0.584 55 1HB LEU 15 2HB LEU 15 -8.607 -1.919 -0.015 56 2HB LEU 15 1HB LEU 15 -9.443 -1.964 1.525 57 HG LEU 15 HG LEU 15 -10.439 -3.239 -1.024 58 1HD1 LEU 15 1HD1 LEU 15 -9.660 -4.848 1.325 59 2HD1 LEU 15 2HD1 LEU 15 -8.347 -4.113 0.406 60 3HD1 LEU 15 3HD1 LEU 15 -9.490 -5.190 -0.397 61 1HD2 LEU 15 1HD2 LEU 15 -11.804 -4.418 0.964 62 2HD2 LEU 15 2HD2 LEU 15 -12.392 -3.002 0.092 63 3HD2 LEU 15 3HD2 LEU 15 -11.601 -2.808 1.657 64 H SER 16 H SER 16 -9.960 0.143 2.464 65 HA SER 16 HA SER 16 -8.475 2.537 1.624 66 1HB SER 16 2HB SER 16 -8.896 3.364 3.924 67 2HB SER 16 1HB SER 16 -10.398 2.970 3.088 68 HG SER 16 HG SER 16 -10.586 2.035 5.052 69 H VAL 17 H VAL 17 -6.505 3.092 2.806 70 HA VAL 17 HA VAL 17 -5.249 0.909 4.270 71 HB VAL 17 HB VAL 17 -4.646 0.373 2.010 72 1HG1 VAL 17 1HG1 VAL 17 -4.045 3.288 1.809 73 2HG1 VAL 17 2HG1 VAL 17 -4.956 2.247 0.712 74 3HG1 VAL 17 3HG1 VAL 17 -3.195 2.144 0.770 75 1HG2 VAL 17 1HG2 VAL 17 -2.060 1.495 2.504 76 2HG2 VAL 17 2HG2 VAL 17 -2.604 -0.171 2.687 77 3HG2 VAL 17 3HG2 VAL 17 -2.773 0.962 4.027 78 H ARG 18 H ARG 18 -3.914 1.595 5.835 79 HA ARG 18 HA ARG 18 -3.225 4.462 5.877 80 1HB ARG 18 2HB ARG 18 -3.294 4.333 8.325 81 2HB ARG 18 1HB ARG 18 -4.839 3.880 7.615 82 1HG ARG 18 2HG ARG 18 -4.303 1.522 7.946 83 2HG ARG 18 1HG ARG 18 -2.749 1.971 8.648 84 1HD ARG 18 2HD ARG 18 -3.910 3.174 10.438 85 2HD ARG 18 1HD ARG 18 -5.462 2.721 9.737 86 HE ARG 18 HE ARG 18 -3.858 1.136 11.441 87 1HH1 ARG 18 1HH1 ARG 18 -5.959 0.908 8.662 88 2HH1 ARG 18 2HH1 ARG 18 -6.359 -0.752 8.946 89 1HH2 ARG 18 1HH2 ARG 18 -4.390 -1.044 11.818 90 2HH2 ARG 18 2HH2 ARG 18 -5.473 -1.859 10.739 91 H ILE 19 H ILE 19 -1.148 5.011 6.038 92 HA ILE 19 HA ILE 19 0.835 2.879 6.244 93 HB ILE 19 HB ILE 19 1.101 5.765 5.396 94 1HG1 ILE 19 2HG1 ILE 19 1.604 4.758 3.178 95 2HG1 ILE 19 1HG1 ILE 19 1.238 3.170 3.847 96 1HG2 ILE 19 1HG2 ILE 19 3.276 5.607 5.834 97 2HG2 ILE 19 2HG2 ILE 19 3.378 4.355 4.594 98 3HG2 ILE 19 3HG2 ILE 19 3.114 3.906 6.279 99 1HD1 ILE 19 1HD1 ILE 19 -0.793 5.374 3.935 100 2HD1 ILE 19 2HD1 ILE 19 -1.041 3.631 4.017 101 3HD1 ILE 19 3HD1 ILE 19 -0.583 4.385 2.488 102 H ALA 20 H ALA 20 1.757 2.473 8.135 103 HA ALA 20 HA ALA 20 1.655 4.408 10.285 104 1HB ALA 20 1HB ALA 20 2.937 1.686 10.322 105 2HB ALA 20 2HB ALA 20 1.222 1.963 10.630 106 3HB ALA 20 3HB ALA 20 2.435 2.658 11.706 107 H ARG 21 H ARG 21 4.223 2.433 8.911 108 HA ARG 21 HA ARG 21 6.111 4.592 9.436 109 1HB ARG 21 2HB ARG 21 6.565 1.617 9.274 110 2HB ARG 21 1HB ARG 21 7.875 2.785 9.291 111 1HG ARG 21 2HG ARG 21 7.611 1.927 11.495 112 2HG ARG 21 1HG ARG 21 7.045 3.596 11.488 113 1HD ARG 21 2HD ARG 21 4.740 2.839 11.389 114 2HD ARG 21 1HD ARG 21 5.270 1.163 11.289 115 HE ARG 21 HE ARG 21 5.432 1.171 13.555 116 1HH1 ARG 21 1HH1 ARG 21 5.664 4.476 12.453 117 2HH1 ARG 21 2HH1 ARG 21 5.798 5.128 14.051 118 1HH2 ARG 21 1HH2 ARG 21 5.601 2.032 15.657 119 2HH2 ARG 21 2HH2 ARG 21 5.760 3.743 15.868 120 H SER 22 H SER 22 7.401 5.358 7.793 121 HA SER 22 HA SER 22 7.187 4.055 5.174 122 1HB SER 22 2HB SER 22 5.501 5.822 5.178 123 2HB SER 22 1HB SER 22 6.713 7.001 5.678 124 HG SER 22 HG SER 22 6.275 5.836 3.194 125 H VAL 23 H VAL 23 8.774 4.913 3.594 126 HA VAL 23 HA VAL 23 11.369 5.024 4.793 127 HB VAL 23 HB VAL 23 11.085 3.801 2.732 128 1HG1 VAL 23 1HG1 VAL 23 9.463 4.640 1.402 129 2HG1 VAL 23 2HG1 VAL 23 10.816 5.479 0.642 130 3HG1 VAL 23 3HG1 VAL 23 9.822 6.312 1.837 131 1HG2 VAL 23 1HG2 VAL 23 12.773 6.280 2.382 132 2HG2 VAL 23 2HG2 VAL 23 12.870 4.851 1.350 133 3HG2 VAL 23 3HG2 VAL 23 13.279 4.734 3.063 134 H HIS 24 H HIS 24 9.166 7.355 3.402 135 HA HIS 24 HA HIS 24 11.143 9.474 3.946 136 1HB HIS 24 2HB HIS 24 9.113 9.240 1.737 137 2HB HIS 24 1HB HIS 24 9.753 10.805 2.225 138 HD1 HIS 24 1HD HIS 24 11.428 7.455 1.503 139 HD2 HIS 24 2HD HIS 24 11.696 11.471 0.484 140 HE1 HIS 24 1HE HIS 24 13.381 7.619 -0.069 141 HE2 HIS 24 2HE HIS 24 13.475 10.047 -0.735 142 H ARG 25 H ARG 25 10.536 11.158 5.195 143 HA ARG 25 HA ARG 25 8.319 10.879 6.898 144 1HB ARG 25 2HB ARG 25 8.908 13.123 7.718 145 2HB ARG 25 1HB ARG 25 10.315 12.079 7.591 146 1HG ARG 25 2HG ARG 25 10.893 13.154 5.455 147 2HG ARG 25 1HG ARG 25 9.511 14.235 5.649 148 1HD ARG 25 2HD ARG 25 11.871 14.010 7.517 149 2HD ARG 25 1HD ARG 25 11.581 15.314 6.365 150 HE ARG 25 HE ARG 25 9.354 15.123 8.041 151 1HH1 ARG 25 1HH1 ARG 25 12.733 15.975 8.232 152 2HH1 ARG 25 2HH1 ARG 25 12.509 17.077 9.551 153 1HH2 ARG 25 1HH2 ARG 25 9.057 16.569 9.774 154 2HH2 ARG 25 2HH2 ARG 25 10.422 17.413 10.426 155 H ASP 26 H ASP 26 8.672 12.394 3.821 156 HA ASP 26 HA ASP 26 6.494 14.178 3.968 157 1HB ASP 26 2HB ASP 26 7.722 12.853 1.544 158 2HB ASP 26 1HB ASP 26 6.624 14.229 1.503 159 H ILE 27 H ILE 27 6.732 10.796 3.415 160 HA ILE 27 HA ILE 27 3.918 10.626 2.670 161 HB ILE 27 HB ILE 27 5.987 8.441 2.550 162 1HG1 ILE 27 2HG1 ILE 27 6.485 10.391 1.047 163 2HG1 ILE 27 1HG1 ILE 27 6.212 8.877 0.195 164 1HG2 ILE 27 1HG2 ILE 27 4.309 7.076 2.069 165 2HG2 ILE 27 2HG2 ILE 27 3.806 8.114 0.734 166 3HG2 ILE 27 3HG2 ILE 27 3.174 8.394 2.356 167 1HD1 ILE 27 1HD1 ILE 27 3.922 9.597 -0.312 168 2HD1 ILE 27 2HD1 ILE 27 5.132 10.707 -0.954 169 3HD1 ILE 27 3HD1 ILE 27 4.236 11.127 0.507 170 H GLN 28 H GLN 28 6.204 9.916 5.124 171 HA GLN 28 HA GLN 28 5.038 7.841 6.533 172 1HB GLN 28 2HB GLN 28 7.240 8.716 7.071 173 2HB GLN 28 1HB GLN 28 6.550 10.261 7.544 174 1HG GLN 28 2HG GLN 28 7.059 9.138 9.538 175 2HG GLN 28 1HG GLN 28 5.310 9.018 9.351 176 1HE2 GLN 28 1HE2 GLN 28 7.966 7.362 10.217 177 2HE2 GLN 28 2HE2 GLN 28 7.448 5.750 9.887 178 H GLY 29 H GLY 29 3.558 7.699 8.200 179 1HA GLY 29 2HA GLY 29 1.709 8.220 9.446 180 2HA GLY 29 1HA GLY 29 2.290 9.876 9.453 181 H ILE 30 H ILE 30 1.861 8.782 6.285 182 HA ILE 30 HA ILE 30 -0.671 10.211 6.151 183 HB ILE 30 HB ILE 30 1.310 9.636 3.950 184 1HG1 ILE 30 2HG1 ILE 30 0.587 12.163 5.449 185 2HG1 ILE 30 1HG1 ILE 30 2.134 11.318 5.481 186 1HG2 ILE 30 1HG2 ILE 30 -0.554 11.648 3.226 187 2HG2 ILE 30 2HG2 ILE 30 -1.467 10.255 3.806 188 3HG2 ILE 30 3HG2 ILE 30 -0.310 10.064 2.490 189 1HD1 ILE 30 1HD1 ILE 30 2.318 13.272 4.091 190 2HD1 ILE 30 2HD1 ILE 30 0.918 12.770 3.140 191 3HD1 ILE 30 3HD1 ILE 30 2.409 11.832 3.075 192 H SER 31 H SER 31 -2.461 9.119 5.843 193 HA SER 31 HA SER 31 -2.296 6.373 4.807 194 1HB SER 31 2HB SER 31 -4.516 6.046 5.838 195 2HB SER 31 1HB SER 31 -3.329 6.588 7.024 196 HG SER 31 HG SER 31 -5.150 8.298 5.678 197 H GLY 32 H GLY 32 -4.559 5.772 3.692 198 1HA GLY 32 2HA GLY 32 -6.025 7.652 2.295 199 2HA GLY 32 1HA GLY 32 -4.610 7.332 1.309 200 H ARG 33 H ARG 33 -6.407 6.700 -0.153 201 HA ARG 33 HA ARG 33 -7.405 4.014 0.374 202 1HB ARG 33 2HB ARG 33 -8.292 6.165 -1.499 203 2HB ARG 33 1HB ARG 33 -8.783 4.500 -1.740 204 1HG ARG 33 2HG ARG 33 -10.469 5.764 -0.518 205 2HG ARG 33 1HG ARG 33 -9.822 4.429 0.431 206 1HD ARG 33 2HD ARG 33 -8.276 6.099 1.512 207 2HD ARG 33 1HD ARG 33 -9.202 7.364 0.713 208 HE ARG 33 HE ARG 33 -9.905 5.994 3.078 209 1HH1 ARG 33 1HH1 ARG 33 -11.327 7.297 0.175 210 2HH1 ARG 33 2HH1 ARG 33 -12.893 7.496 0.879 211 1HH2 ARG 33 1HH2 ARG 33 -11.960 6.261 4.011 212 2HH2 ARG 33 2HH2 ARG 33 -13.253 6.911 3.059 213 H VAL 34 H VAL 34 -7.595 2.651 -1.719 214 HA VAL 34 HA VAL 34 -4.846 2.444 -2.729 215 HB VAL 34 HB VAL 34 -5.786 0.514 -1.508 216 1HG1 VAL 34 1HG1 VAL 34 -7.646 0.289 -3.866 217 2HG1 VAL 34 2HG1 VAL 34 -8.107 0.730 -2.223 218 3HG1 VAL 34 3HG1 VAL 34 -7.482 -0.884 -2.559 219 1HG2 VAL 34 1HG2 VAL 34 -3.995 0.260 -3.203 220 2HG2 VAL 34 2HG2 VAL 34 -5.232 -0.096 -4.410 221 3HG2 VAL 34 3HG2 VAL 34 -5.003 -1.178 -3.036 222 H VAL 35 H VAL 35 -4.378 1.852 -4.941 223 HA VAL 35 HA VAL 35 -6.613 2.123 -6.790 224 HB VAL 35 HB VAL 35 -5.218 4.341 -6.577 225 1HG1 VAL 35 1HG1 VAL 35 -3.461 4.510 -8.240 226 2HG1 VAL 35 2HG1 VAL 35 -3.578 2.783 -8.547 227 3HG1 VAL 35 3HG1 VAL 35 -3.040 3.362 -6.978 228 1HG2 VAL 35 1HG2 VAL 35 -7.074 3.646 -8.204 229 2HG2 VAL 35 2HG2 VAL 35 -5.767 3.345 -9.348 230 3HG2 VAL 35 3HG2 VAL 35 -6.003 4.962 -8.686 231 H ASP 36 H ASP 36 -3.120 1.482 -6.540 232 HA ASP 36 HA ASP 36 -3.430 -1.087 -7.724 233 1HB ASP 36 2HB ASP 36 -2.195 -0.840 -9.737 234 2HB ASP 36 1HB ASP 36 -3.407 0.433 -9.745 235 H GLU 37 H GLU 37 -1.252 -2.191 -8.001 236 HA GLU 37 HA GLU 37 0.612 -1.203 -5.938 237 1HB GLU 37 2HB GLU 37 -0.553 -3.242 -5.225 238 2HB GLU 37 1HB GLU 37 -0.019 -4.066 -6.684 239 1HG GLU 37 2HG GLU 37 2.303 -3.841 -5.967 240 2HG GLU 37 1HG GLU 37 1.770 -3.010 -4.507 241 H THR 38 H THR 38 2.787 -1.140 -6.433 242 HA THR 38 HA THR 38 3.520 -2.023 -9.149 243 HB THR 38 HB THR 38 4.579 0.385 -7.666 244 HG1 THR 38 1HG THR 38 3.354 1.572 -9.073 245 1HG2 THR 38 1HG2 THR 38 5.032 -0.436 -10.522 246 2HG2 THR 38 2HG2 THR 38 6.215 -0.581 -9.225 247 3HG2 THR 38 3HG2 THR 38 5.650 1.012 -9.728 248 H ARG 39 H ARG 39 5.614 -2.802 -9.479 249 HA ARG 39 HA ARG 39 6.637 -4.612 -7.741 250 1HB ARG 39 2HB ARG 39 7.342 -4.494 -10.053 251 2HB ARG 39 1HB ARG 39 8.157 -2.963 -9.763 252 1HG ARG 39 2HG ARG 39 9.734 -4.087 -8.267 253 2HG ARG 39 1HG ARG 39 8.916 -5.622 -8.567 254 1HD ARG 39 2HD ARG 39 10.942 -5.372 -9.933 255 2HD ARG 39 1HD ARG 39 9.486 -5.502 -10.920 256 HE ARG 39 HE ARG 39 10.033 -2.790 -10.477 257 1HH1 ARG 39 1HH1 ARG 39 11.363 -5.529 -12.182 258 2HH1 ARG 39 2HH1 ARG 39 12.098 -4.562 -13.415 259 1HH2 ARG 39 1HH2 ARG 39 11.000 -1.517 -12.098 260 2HH2 ARG 39 2HH2 ARG 39 11.894 -2.284 -13.367 261 H ASN 40 H ASN 40 7.378 -1.163 -7.773 262 HA ASN 40 HA ASN 40 8.698 -1.527 -5.188 263 1HB ASN 40 2HB ASN 40 10.531 -0.017 -5.809 264 2HB ASN 40 1HB ASN 40 10.517 -1.477 -6.785 265 1HD2 ASN 40 1HD2 ASN 40 8.029 0.479 -7.871 266 2HD2 ASN 40 2HD2 ASN 40 8.866 1.270 -9.148 267 H THR 41 H THR 41 6.101 -0.338 -6.215 268 HA THR 41 HA THR 41 6.181 1.955 -4.481 269 HB THR 41 HB THR 41 5.198 3.483 -6.252 270 HG1 THR 41 1HG THR 41 6.429 1.656 -8.026 271 1HG2 THR 41 1HG2 THR 41 7.543 3.653 -5.425 272 2HG2 THR 41 2HG2 THR 41 7.276 4.261 -7.059 273 3HG2 THR 41 3HG2 THR 41 8.035 2.688 -6.816 274 H LEU 42 H LEU 42 4.003 3.060 -4.415 275 HA LEU 42 HA LEU 42 1.806 1.228 -5.059 276 1HB LEU 42 2HB LEU 42 2.298 2.452 -2.347 277 2HB LEU 42 1HB LEU 42 0.824 1.628 -2.814 278 HG LEU 42 HG LEU 42 3.559 0.379 -2.631 279 1HD1 LEU 42 1HD1 LEU 42 2.267 1.032 -0.498 280 2HD1 LEU 42 2HD1 LEU 42 2.891 -0.611 -0.637 281 3HD1 LEU 42 3HD1 LEU 42 1.184 -0.288 -0.937 282 1HD2 LEU 42 1HD2 LEU 42 2.447 -1.725 -3.079 283 2HD2 LEU 42 2HD2 LEU 42 2.137 -0.604 -4.403 284 3HD2 LEU 42 3HD2 LEU 42 0.889 -0.910 -3.195 285 H ARG 43 H ARG 43 -0.012 2.221 -5.711 286 HA ARG 43 HA ARG 43 -0.055 5.152 -5.470 287 1HB ARG 43 2HB ARG 43 0.206 4.240 -7.793 288 2HB ARG 43 1HB ARG 43 -1.379 3.516 -7.625 289 1HG ARG 43 2HG ARG 43 -2.374 5.726 -7.336 290 2HG ARG 43 1HG ARG 43 -0.775 6.458 -7.469 291 1HD ARG 43 2HD ARG 43 -2.158 4.841 -9.613 292 2HD ARG 43 1HD ARG 43 -2.003 6.597 -9.585 293 HE ARG 43 HE ARG 43 0.557 5.498 -9.405 294 1HH1 ARG 43 1HH1 ARG 43 -2.066 5.697 -11.700 295 2HH1 ARG 43 2HH1 ARG 43 -1.029 5.606 -13.083 296 1HH2 ARG 43 1HH2 ARG 43 1.922 5.377 -11.224 297 2HH2 ARG 43 2HH2 ARG 43 1.236 5.423 -12.813 298 H ILE 44 H ILE 44 -1.582 5.963 -4.317 299 HA ILE 44 HA ILE 44 -3.694 4.280 -3.238 300 HB ILE 44 HB ILE 44 -2.425 6.886 -2.466 301 1HG1 ILE 44 2HG1 ILE 44 -2.797 4.264 -1.021 302 2HG1 ILE 44 1HG1 ILE 44 -1.315 4.838 -1.778 303 1HG2 ILE 44 1HG2 ILE 44 -5.144 6.466 -2.043 304 2HG2 ILE 44 2HG2 ILE 44 -4.110 7.663 -1.274 305 3HG2 ILE 44 3HG2 ILE 44 -4.365 6.103 -0.503 306 1HD1 ILE 44 1HD1 ILE 44 -2.662 5.850 0.695 307 2HD1 ILE 44 2HD1 ILE 44 -1.457 6.805 -0.167 308 3HD1 ILE 44 3HD1 ILE 44 -1.022 5.231 0.501 309 H GLU 45 H GLU 45 -5.772 4.388 -3.929 310 HA GLU 45 HA GLU 45 -6.696 6.986 -4.906 311 1HB GLU 45 2HB GLU 45 -6.417 5.730 -6.923 312 2HB GLU 45 1HB GLU 45 -7.225 4.325 -6.237 313 1HG GLU 45 2HG GLU 45 -9.316 5.622 -6.121 314 2HG GLU 45 1HG GLU 45 -8.490 6.984 -6.877 315 H MET 46 H MET 46 -8.670 7.556 -4.343 316 HA MET 46 HA MET 46 -10.212 5.763 -2.588 317 1HB MET 46 2HB MET 46 -11.000 7.841 -1.445 318 2HB MET 46 1HB MET 46 -9.288 7.522 -1.233 319 1HG MET 46 2HG MET 46 -9.166 9.113 -3.369 320 2HG MET 46 1HG MET 46 -10.658 9.712 -2.649 321 1HE MET 46 1HE MET 46 -6.794 9.406 -2.367 322 2HE MET 46 2HE MET 46 -7.320 8.271 -1.119 323 3HE MET 46 3HE MET 46 -6.500 9.764 -0.663 324 H ASP 47 H ASP 47 -12.270 5.436 -3.056 325 HA ASP 47 HA ASP 47 -13.410 5.777 -5.474 326 1HB ASP 47 2HB ASP 47 -14.351 4.353 -3.719 327 2HB ASP 47 1HB ASP 47 -14.885 5.781 -2.838 328 H ASP 48 H ASP 48 -13.159 8.230 -3.044 329 HA ASP 48 HA ASP 48 -15.200 9.952 -3.881 330 1HB ASP 48 2HB ASP 48 -13.899 10.250 -1.790 331 2HB ASP 48 1HB ASP 48 -12.499 10.723 -2.750 332 H GLY 49 H GLY 49 -12.372 8.979 -5.488 333 1HA GLY 49 2HA GLY 49 -12.057 9.453 -7.793 334 2HA GLY 49 1HA GLY 49 -12.828 11.013 -7.549 335 H ARG 50 H ARG 50 -10.590 10.095 -5.150 336 HA ARG 50 HA ARG 50 -8.646 12.000 -6.281 337 1HB ARG 50 2HB ARG 50 -9.292 11.242 -3.460 338 2HB ARG 50 1HB ARG 50 -7.765 12.010 -3.857 339 1HG ARG 50 2HG ARG 50 -9.391 13.635 -3.088 340 2HG ARG 50 1HG ARG 50 -8.973 13.921 -4.779 341 1HD ARG 50 2HD ARG 50 -11.021 12.846 -5.497 342 2HD ARG 50 1HD ARG 50 -11.421 12.437 -3.830 343 HE ARG 50 HE ARG 50 -12.301 14.524 -3.619 344 1HH1 ARG 50 1HH1 ARG 50 -9.999 14.591 -6.243 345 2HH1 ARG 50 2HH1 ARG 50 -10.288 16.257 -6.618 346 1HH2 ARG 50 1HH2 ARG 50 -12.685 16.712 -4.116 347 2HH2 ARG 50 2HH2 ARG 50 -11.813 17.460 -5.412 348 H GLU 51 H GLU 51 -6.353 11.577 -5.956 349 HA GLU 51 HA GLU 51 -5.622 8.819 -5.421 350 1HB GLU 51 2HB GLU 51 -5.055 10.117 -8.092 351 2HB GLU 51 1HB GLU 51 -4.475 8.540 -7.575 352 1HG GLU 51 2HG GLU 51 -6.760 7.717 -7.480 353 2HG GLU 51 1HG GLU 51 -7.362 9.304 -7.957 354 H ILE 52 H ILE 52 -3.636 8.653 -4.567 355 HA ILE 52 HA ILE 52 -1.650 10.762 -4.980 356 HB ILE 52 HB ILE 52 -2.797 11.422 -2.922 357 1HG1 ILE 52 2HG1 ILE 52 -0.833 11.463 -1.408 358 2HG1 ILE 52 1HG1 ILE 52 -0.044 10.263 -2.428 359 1HG2 ILE 52 1HG2 ILE 52 -2.762 10.004 -0.941 360 2HG2 ILE 52 2HG2 ILE 52 -1.998 8.714 -1.869 361 3HG2 ILE 52 3HG2 ILE 52 -3.637 9.233 -2.263 362 1HD1 ILE 52 1HD1 ILE 52 -0.158 11.884 -4.319 363 2HD1 ILE 52 2HD1 ILE 52 0.836 12.433 -2.967 364 3HD1 ILE 52 3HD1 ILE 52 -0.788 13.085 -3.192 365 H THR 53 H THR 53 0.548 10.052 -4.482 366 HA THR 53 HA THR 53 0.796 7.142 -4.738 367 HB THR 53 HB THR 53 2.804 9.334 -5.273 368 HG1 THR 53 1HG THR 53 1.373 7.669 -7.067 369 1HG2 THR 53 1HG2 THR 53 4.035 7.364 -4.740 370 2HG2 THR 53 2HG2 THR 53 4.052 7.569 -6.491 371 3HG2 THR 53 3HG2 THR 53 2.988 6.372 -5.754 372 H VAL 54 H VAL 54 2.406 5.954 -3.600 373 HA VAL 54 HA VAL 54 3.646 7.174 -1.269 374 HB VAL 54 HB VAL 54 1.821 4.788 -0.941 375 1HG1 VAL 54 1HG1 VAL 54 2.802 4.475 1.035 376 2HG1 VAL 54 2HG1 VAL 54 2.510 6.154 1.491 377 3HG1 VAL 54 3HG1 VAL 54 3.978 5.721 0.617 378 1HG2 VAL 54 1HG2 VAL 54 1.398 7.711 -0.406 379 2HG2 VAL 54 2HG2 VAL 54 0.542 6.485 0.528 380 3HG2 VAL 54 3HG2 VAL 54 0.334 6.566 -1.222 381 HA PRO 55 HA PRO 55 6.693 4.180 -2.651 382 1HB PRO 55 2HB PRO 55 8.302 4.908 -0.341 383 2HB PRO 55 1HB PRO 55 8.584 5.265 -2.044 384 1HG PRO 55 2HG PRO 55 7.943 7.167 -0.214 385 2HG PRO 55 1HG PRO 55 7.523 7.289 -1.930 386 1HD PRO 55 2HD PRO 55 5.811 6.470 0.388 387 2HD PRO 55 1HD PRO 55 5.413 7.505 -1.002 388 H LYS 56 H LYS 56 6.743 2.048 -2.296 389 HA LYS 56 HA LYS 56 6.028 1.039 0.361 390 1HB LYS 56 2HB LYS 56 5.566 -1.086 -0.755 391 2HB LYS 56 1HB LYS 56 4.661 0.236 -1.470 392 1HG LYS 56 2HG LYS 56 6.225 0.343 -3.321 393 2HG LYS 56 1HG LYS 56 7.201 -0.930 -2.585 394 1HD LYS 56 2HD LYS 56 4.353 -1.201 -3.546 395 2HD LYS 56 1HD LYS 56 5.788 -1.823 -4.360 396 1HE LYS 56 2HE LYS 56 4.785 -2.650 -1.640 397 2HE LYS 56 1HE LYS 56 4.655 -3.589 -3.125 398 1HZ LYS 56 1HZ LYS 56 6.947 -3.169 -1.393 399 2HZ LYS 56 2HZ LYS 56 7.274 -3.148 -3.052 400 3HZ LYS 56 3HZ LYS 56 6.543 -4.502 -2.352 401 H GLY 57 H GLY 57 8.835 1.630 -1.314 402 1HA GLY 57 2HA GLY 57 10.370 -0.648 -1.186 403 2HA GLY 57 1HA GLY 57 11.008 0.965 -0.895 404 H ILE 58 H ILE 58 9.373 1.401 1.455 405 HA ILE 58 HA ILE 58 10.027 -0.623 3.371 406 HB ILE 58 HB ILE 58 11.303 2.103 3.675 407 1HG1 ILE 58 2HG1 ILE 58 13.458 0.654 3.683 408 2HG1 ILE 58 1HG1 ILE 58 12.466 -0.555 2.874 409 1HG2 ILE 58 1HG2 ILE 58 10.448 0.503 5.664 410 2HG2 ILE 58 2HG2 ILE 58 11.827 1.594 5.802 411 3HG2 ILE 58 3HG2 ILE 58 12.085 -0.114 5.448 412 1HD1 ILE 58 1HD1 ILE 58 12.999 0.434 0.970 413 2HD1 ILE 58 2HD1 ILE 58 13.739 1.794 1.814 414 3HD1 ILE 58 3HD1 ILE 58 12.009 1.802 1.474 415 H ALA 59 H ALA 59 7.576 -0.165 2.975 416 HA ALA 59 HA ALA 59 6.769 1.755 5.034 417 1HB ALA 59 1HB ALA 59 4.899 2.521 3.636 418 2HB ALA 59 2HB ALA 59 5.515 1.534 2.309 419 3HB ALA 59 3HB ALA 59 6.472 2.882 2.928 420 H VAL 60 H VAL 60 5.833 0.609 6.598 421 HA VAL 60 HA VAL 60 4.271 -1.766 6.003 422 HB VAL 60 HB VAL 60 5.686 -1.745 8.019 423 1HG1 VAL 60 1HG1 VAL 60 5.039 0.802 8.361 424 2HG1 VAL 60 2HG1 VAL 60 5.545 -0.222 9.705 425 3HG1 VAL 60 3HG1 VAL 60 3.830 0.091 9.430 426 1HG2 VAL 60 1HG2 VAL 60 3.890 -3.260 8.132 427 2HG2 VAL 60 2HG2 VAL 60 2.712 -1.974 8.390 428 3HG2 VAL 60 3HG2 VAL 60 3.854 -2.391 9.667 429 H PHE 61 H PHE 61 2.070 -1.870 5.929 430 HA PHE 61 HA PHE 61 0.480 0.271 7.041 431 1HB PHE 61 2HB PHE 61 -0.638 0.701 4.797 432 2HB PHE 61 1HB PHE 61 0.978 1.367 5.010 433 HD1 PHE 61 1HD PHE 61 2.573 0.996 3.402 434 HD2 PHE 61 2HD PHE 61 -0.753 -1.644 3.656 435 HE1 PHE 61 1HE PHE 61 3.325 -0.140 1.356 436 HE2 PHE 61 2HE PHE 61 -0.004 -2.788 1.605 437 HZ PHE 61 HZ PHE 61 2.037 -2.035 0.456 438 H HIS 62 H HIS 62 -1.734 -0.158 7.129 439 HA HIS 62 HA HIS 62 -2.456 -2.961 6.566 440 1HB HIS 62 2HB HIS 62 -3.595 -1.261 8.786 441 2HB HIS 62 1HB HIS 62 -3.775 -2.996 8.561 442 HD1 HIS 62 1HD HIS 62 -1.102 -4.130 8.455 443 HD2 HIS 62 2HD HIS 62 -1.898 -0.810 10.819 444 HE1 HIS 62 1HE HIS 62 0.719 -4.088 10.186 445 HE2 HIS 62 2HE HIS 62 0.167 -2.119 11.659 446 H PHE 63 H PHE 63 -4.483 -3.352 5.672 447 HA PHE 63 HA PHE 63 -5.848 -0.959 4.653 448 1HB PHE 63 2HB PHE 63 -6.123 -3.810 3.679 449 2HB PHE 63 1HB PHE 63 -6.803 -2.376 2.927 450 HD1 PHE 63 1HD PHE 63 -5.745 -1.657 1.040 451 HD2 PHE 63 2HD PHE 63 -3.445 -3.546 4.080 452 HE1 PHE 63 1HE PHE 63 -3.728 -1.433 -0.350 453 HE2 PHE 63 2HE PHE 63 -1.428 -3.320 2.704 454 HZ PHE 63 HZ PHE 63 -1.564 -2.263 0.482 455 H ARG 64 H ARG 64 -8.138 -0.845 4.695 456 HA ARG 64 HA ARG 64 -9.395 -2.610 6.692 457 1HB ARG 64 2HB ARG 64 -9.803 0.369 6.339 458 2HB ARG 64 1HB ARG 64 -10.746 -0.649 7.417 459 1HG ARG 64 2HG ARG 64 -7.766 -0.296 7.623 460 2HG ARG 64 1HG ARG 64 -8.942 0.662 8.525 461 1HD ARG 64 2HD ARG 64 -8.634 -2.337 8.649 462 2HD ARG 64 1HD ARG 64 -8.074 -1.189 9.867 463 HE ARG 64 HE ARG 64 -10.831 -0.824 9.419 464 1HH1 ARG 64 1HH1 ARG 64 -8.607 -3.075 10.887 465 2HH1 ARG 64 2HH1 ARG 64 -9.764 -3.664 12.031 466 1HH2 ARG 64 1HH2 ARG 64 -12.354 -1.598 10.922 467 2HH2 ARG 64 2HH2 ARG 64 -11.892 -2.827 12.051 468 H THR 65 H THR 65 -11.414 -3.357 6.233 469 HA THR 65 HA THR 65 -12.584 -2.518 3.662 470 HB THR 65 HB THR 65 -12.729 -5.237 4.977 471 HG1 THR 65 1HG THR 65 -11.087 -5.758 3.782 472 1HG2 THR 65 1HG2 THR 65 -14.585 -4.268 3.291 473 2HG2 THR 65 2HG2 THR 65 -14.127 -5.967 3.391 474 3HG2 THR 65 3HG2 THR 65 -13.425 -4.937 2.145 475 HA PRO 66 HA PRO 66 -16.095 -0.899 5.837 476 1HB PRO 66 2HB PRO 66 -17.526 -2.201 3.553 477 2HB PRO 66 1HB PRO 66 -17.728 -0.579 4.227 478 1HG PRO 66 2HG PRO 66 -16.360 -0.943 1.976 479 2HG PRO 66 1HG PRO 66 -15.821 0.236 3.186 480 1HD PRO 66 2HD PRO 66 -14.695 -2.427 2.506 481 2HD PRO 66 1HD PRO 66 -13.879 -0.978 3.125 482 H GLN 67 H GLN 67 -16.206 -4.214 4.563 483 HA GLN 67 HA GLN 67 -18.400 -5.103 6.066 484 1HB GLN 67 2HB GLN 67 -16.016 -6.667 5.063 485 2HB GLN 67 1HB GLN 67 -17.504 -7.381 5.669 486 1HG GLN 67 2HG GLN 67 -18.745 -6.274 3.858 487 2HG GLN 67 1HG GLN 67 -17.225 -5.632 3.236 488 1HE2 GLN 67 1HE2 GLN 67 -19.436 -7.950 2.765 489 2HE2 GLN 67 2HE2 GLN 67 -18.459 -9.171 2.031 490 H GLY 68 H GLY 68 -15.245 -4.278 7.056 491 1HA GLY 68 2HA GLY 68 -14.770 -4.001 9.387 492 2HA GLY 68 1HA GLY 68 -15.822 -5.368 9.724 493 H GLU 69 H GLU 69 -13.192 -5.056 7.357 494 HA GLU 69 HA GLU 69 -11.871 -7.320 8.719 495 1HB GLU 69 2HB GLU 69 -11.716 -6.570 5.795 496 2HB GLU 69 1HB GLU 69 -10.927 -7.944 6.550 497 1HG GLU 69 2HG GLU 69 -13.898 -7.521 6.321 498 2HG GLU 69 1HG GLU 69 -12.923 -8.623 5.348 499 H LEU 70 H LEU 70 -9.582 -7.353 8.802 500 HA LEU 70 HA LEU 70 -8.301 -4.735 8.385 501 1HB LEU 70 2HB LEU 70 -8.823 -5.203 10.787 502 2HB LEU 70 1HB LEU 70 -7.779 -6.606 10.696 503 HG LEU 70 HG LEU 70 -6.854 -3.764 10.245 504 1HD1 LEU 70 1HD1 LEU 70 -6.563 -5.537 12.670 505 2HD1 LEU 70 2HD1 LEU 70 -7.582 -4.101 12.553 506 3HD1 LEU 70 3HD1 LEU 70 -5.827 -3.948 12.455 507 1HD2 LEU 70 1HD2 LEU 70 -5.306 -5.082 9.138 508 2HD2 LEU 70 2HD2 LEU 70 -5.499 -6.431 10.259 509 3HD2 LEU 70 3HD2 LEU 70 -4.616 -4.990 10.760 510 H VAL 71 H VAL 71 -6.937 -5.035 6.734 511 HA VAL 71 HA VAL 71 -5.500 -7.582 6.507 512 HB VAL 71 HB VAL 71 -5.553 -5.282 4.553 513 1HG1 VAL 71 1HG1 VAL 71 -4.899 -7.284 3.011 514 2HG1 VAL 71 2HG1 VAL 71 -4.347 -8.009 4.520 515 3HG1 VAL 71 3HG1 VAL 71 -3.670 -6.472 3.980 516 1HG2 VAL 71 1HG2 VAL 71 -7.195 -6.484 3.300 517 2HG2 VAL 71 2HG2 VAL 71 -7.783 -6.337 4.956 518 3HG2 VAL 71 3HG2 VAL 71 -7.099 -7.863 4.396 519 H GLU 72 H GLU 72 -3.188 -7.588 6.087 520 HA GLU 72 HA GLU 72 -1.790 -5.217 7.120 521 1HB GLU 72 2HB GLU 72 -1.952 -6.834 8.938 522 2HB GLU 72 1HB GLU 72 -1.266 -8.085 7.911 523 1HG GLU 72 2HG GLU 72 0.831 -6.840 7.791 524 2HG GLU 72 1HG GLU 72 0.145 -5.587 8.822 525 H ILE 73 H ILE 73 0.140 -4.716 6.186 526 HA ILE 73 HA ILE 73 1.407 -6.588 4.353 527 HB ILE 73 HB ILE 73 0.410 -3.884 3.442 528 1HG1 ILE 73 2HG1 ILE 73 -1.316 -5.651 3.479 529 2HG1 ILE 73 1HG1 ILE 73 -0.936 -5.131 1.840 530 1HG2 ILE 73 1HG2 ILE 73 2.208 -5.892 2.105 531 2HG2 ILE 73 2HG2 ILE 73 2.545 -4.198 2.463 532 3HG2 ILE 73 3HG2 ILE 73 1.363 -4.620 1.224 533 1HD1 ILE 73 1HD1 ILE 73 -1.219 -7.612 2.191 534 2HD1 ILE 73 2HD1 ILE 73 0.296 -7.568 3.093 535 3HD1 ILE 73 3HD1 ILE 73 0.271 -7.109 1.391 536 H ASP 74 H ASP 74 3.547 -6.461 4.615 537 HA ASP 74 HA ASP 74 4.621 -4.147 6.038 538 1HB ASP 74 2HB ASP 74 6.641 -5.628 6.339 539 2HB ASP 74 1HB ASP 74 5.161 -6.212 7.093 540 H GLY 75 H GLY 75 5.052 -2.587 4.614 541 1HA GLY 75 2HA GLY 75 6.086 -2.959 2.008 542 2HA GLY 75 1HA GLY 75 6.031 -1.442 2.884 543 H ARG 76 H ARG 76 7.629 -3.152 5.023 544 HA ARG 76 HA ARG 76 10.194 -2.365 3.930 545 1HB ARG 76 2HB ARG 76 9.665 -1.439 6.102 546 2HB ARG 76 1HB ARG 76 9.362 -3.048 6.744 547 1HG ARG 76 2HG ARG 76 11.710 -3.621 6.457 548 2HG ARG 76 1HG ARG 76 12.025 -2.025 5.774 549 1HD ARG 76 2HD ARG 76 12.679 -2.113 8.119 550 2HD ARG 76 1HD ARG 76 11.342 -0.989 7.880 551 HE ARG 76 HE ARG 76 10.281 -3.486 8.558 552 1HH1 ARG 76 1HH1 ARG 76 12.183 -0.942 10.003 553 2HH1 ARG 76 2HH1 ARG 76 11.627 -1.269 11.610 554 1HH2 ARG 76 1HH2 ARG 76 9.549 -3.917 10.671 555 2HH2 ARG 76 2HH2 ARG 76 10.132 -2.958 11.990 556 H ALA 77 H ALA 77 8.546 -5.152 5.230 557 HA ALA 77 HA ALA 77 10.878 -6.807 4.709 558 1HB ALA 77 1HB ALA 77 9.238 -8.537 5.881 559 2HB ALA 77 2HB ALA 77 8.556 -7.040 6.515 560 3HB ALA 77 3HB ALA 77 10.254 -7.421 6.793 561 H LEU 78 H LEU 78 7.915 -5.999 3.262 562 HA LEU 78 HA LEU 78 7.813 -8.544 1.798 563 1HB LEU 78 2HB LEU 78 5.776 -7.292 2.958 564 2HB LEU 78 1HB LEU 78 5.746 -6.429 1.435 565 HG LEU 78 HG LEU 78 4.166 -8.257 1.374 566 1HD1 LEU 78 1HD1 LEU 78 5.300 -7.720 -0.710 567 2HD1 LEU 78 2HD1 LEU 78 4.945 -9.444 -0.611 568 3HD1 LEU 78 3HD1 LEU 78 6.583 -8.864 -0.318 569 1HD2 LEU 78 1HD2 LEU 78 4.688 -9.960 2.746 570 2HD2 LEU 78 2HD2 LEU 78 6.426 -9.749 2.522 571 3HD2 LEU 78 3HD2 LEU 78 5.479 -10.614 1.311 572 H VAL 79 H VAL 79 9.853 -6.549 1.302 573 HA VAL 79 HA VAL 79 9.149 -5.190 -1.122 574 HB VAL 79 HB VAL 79 11.886 -5.611 0.079 575 1HG1 VAL 79 1HG1 VAL 79 11.236 -4.705 -2.440 576 2HG1 VAL 79 2HG1 VAL 79 12.748 -4.400 -1.587 577 3HG1 VAL 79 3HG1 VAL 79 11.442 -3.217 -1.516 578 1HG2 VAL 79 1HG2 VAL 79 11.638 -3.388 1.034 579 2HG2 VAL 79 2HG2 VAL 79 10.363 -4.458 1.620 580 3HG2 VAL 79 3HG2 VAL 79 10.009 -3.268 0.367 581 H ALA 80 H ALA 80 8.666 -6.548 -2.777 582 HA ALA 80 HA ALA 80 10.564 -8.706 -3.393 583 1HB ALA 80 1HB ALA 80 8.237 -9.401 -3.084 584 2HB ALA 80 2HB ALA 80 8.786 -9.691 -4.735 585 3HB ALA 80 3HB ALA 80 7.742 -8.316 -4.383 586 H ARG 81 H ARG 81 12.129 -7.839 -4.637 587 HA ARG 81 HA ARG 81 11.285 -6.335 -7.030 588 1HB ARG 81 2HB ARG 81 13.950 -6.186 -5.614 589 2HB ARG 81 1HB ARG 81 13.431 -5.201 -6.975 590 1HG ARG 81 2HG ARG 81 12.209 -5.181 -4.223 591 2HG ARG 81 1HG ARG 81 13.324 -3.977 -4.868 592 1HD ARG 81 2HD ARG 81 11.707 -3.406 -6.611 593 2HD ARG 81 1HD ARG 81 10.600 -4.633 -5.995 594 HE ARG 81 HE ARG 81 9.898 -3.108 -4.464 595 1HH1 ARG 81 1HH1 ARG 81 13.115 -2.202 -5.473 596 2HH1 ARG 81 2HH1 ARG 81 13.170 -0.797 -4.463 597 1HH2 ARG 81 1HH2 ARG 81 9.968 -1.256 -3.143 598 2HH2 ARG 81 2HH2 ARG 81 11.383 -0.258 -3.142 599 HA PRO 82 HA PRO 82 12.953 -10.256 -8.715 600 1HB PRO 82 2HB PRO 82 11.481 -9.365 -11.105 601 2HB PRO 82 1HB PRO 82 11.354 -10.880 -10.209 602 1HG PRO 82 2HG PRO 82 9.419 -9.023 -10.115 603 2HG PRO 82 1HG PRO 82 9.829 -10.017 -8.705 604 1HD PRO 82 2HD PRO 82 10.595 -7.186 -9.315 605 2HD PRO 82 1HD PRO 82 10.076 -7.905 -7.775 606 H GLU 83 H GLU 83 13.314 -6.979 -9.612 607 HA GLU 83 HA GLU 83 15.313 -7.670 -11.649 608 1HB GLU 83 2HB GLU 83 13.556 -6.149 -12.411 609 2HB GLU 83 1HB GLU 83 13.941 -5.036 -11.105 610 1HG GLU 83 2HG GLU 83 14.881 -4.266 -13.205 611 2HG GLU 83 1HG GLU 83 16.158 -4.668 -12.056 612 H GLU 84 H GLU 84 14.907 -6.329 -8.508 613 HA GLU 84 HA GLU 84 17.597 -5.194 -8.495 614 1HB GLU 84 2HB GLU 84 15.483 -5.190 -6.338 615 2HB GLU 84 1HB GLU 84 17.015 -4.334 -6.273 616 1HG GLU 84 2HG GLU 84 14.797 -3.832 -8.246 617 2HG GLU 84 1HG GLU 84 15.182 -2.837 -6.842 618 H ARG 85 H ARG 85 16.609 -8.189 -8.339 619 HA ARG 85 HA ARG 85 17.195 -10.120 -7.302 620 1HB ARG 85 2HB ARG 85 19.599 -10.357 -6.805 621 2HB ARG 85 1HB ARG 85 19.302 -9.621 -8.370 622 1HG ARG 85 2HG ARG 85 19.828 -7.433 -7.473 623 2HG ARG 85 1HG ARG 85 20.054 -8.125 -5.867 624 1HD ARG 85 2HD ARG 85 22.199 -7.773 -6.940 625 2HD ARG 85 1HD ARG 85 21.894 -9.498 -6.732 626 HE ARG 85 HE ARG 85 22.044 -9.715 -8.989 627 1HH1 ARG 85 1HH1 ARG 85 21.215 -6.397 -8.284 628 2HH1 ARG 85 2HH1 ARG 85 21.225 -5.913 -9.945 629 1HH2 ARG 85 1HH2 ARG 85 22.063 -9.075 -11.174 630 2HH2 ARG 85 2HH2 ARG 85 21.708 -7.430 -11.585 631 H ILE 86 H ILE 86 16.196 -10.661 -5.500 632 HA ILE 86 HA ILE 86 16.084 -9.159 -3.147 633 HB ILE 86 HB ILE 86 15.707 -12.144 -3.435 634 1HG1 ILE 86 2HG1 ILE 86 13.694 -9.890 -3.608 635 2HG1 ILE 86 1HG1 ILE 86 14.287 -10.835 -4.971 636 1HG2 ILE 86 1HG2 ILE 86 14.802 -10.214 -1.304 637 2HG2 ILE 86 2HG2 ILE 86 15.955 -11.536 -1.120 638 3HG2 ILE 86 3HG2 ILE 86 14.256 -11.886 -1.439 639 1HD1 ILE 86 1HD1 ILE 86 12.352 -11.937 -4.585 640 2HD1 ILE 86 2HD1 ILE 86 12.341 -11.549 -2.865 641 3HD1 ILE 86 3HD1 ILE 86 13.388 -12.832 -3.472 Start of MODEL 12 1 H ARG 9 H ARG 9 -4.533 -14.841 -4.543 2 HA ARG 9 HA ARG 9 -6.420 -13.678 -5.040 3 1HB ARG 9 2HB ARG 9 -5.501 -11.877 -2.792 4 2HB ARG 9 1HB ARG 9 -7.101 -11.859 -3.519 5 1HG ARG 9 2HG ARG 9 -7.469 -14.156 -2.757 6 2HG ARG 9 1HG ARG 9 -5.868 -14.157 -2.013 7 1HD ARG 9 2HD ARG 9 -7.613 -13.708 -0.364 8 2HD ARG 9 1HD ARG 9 -6.536 -12.324 -0.550 9 HE ARG 9 HE ARG 9 -8.722 -11.987 -2.265 10 1HH1 ARG 9 1HH1 ARG 9 -8.018 -12.046 1.152 11 2HH1 ARG 9 2HH1 ARG 9 -9.316 -10.977 1.564 12 1HH2 ARG 9 1HH2 ARG 9 -10.428 -10.581 -1.726 13 2HH2 ARG 9 2HH2 ARG 9 -10.684 -10.145 -0.069 14 H HIS 10 H HIS 10 -7.095 -12.024 -6.387 15 HA HIS 10 HA HIS 10 -4.943 -10.270 -7.355 16 1HB HIS 10 2HB HIS 10 -7.462 -11.193 -8.754 17 2HB HIS 10 1HB HIS 10 -6.239 -10.138 -9.453 18 HD1 HIS 10 1HD HIS 10 -6.172 -13.564 -7.774 19 HD2 HIS 10 2HD HIS 10 -4.615 -11.558 -11.064 20 HE1 HIS 10 1HE HIS 10 -4.752 -15.252 -8.981 21 HE2 HIS 10 2HE HIS 10 -3.745 -13.989 -10.914 22 H GLU 11 H GLU 11 -8.340 -10.332 -6.401 23 HA GLU 11 HA GLU 11 -8.803 -7.559 -6.861 24 1HB GLU 11 2HB GLU 11 -10.295 -9.510 -5.097 25 2HB GLU 11 1HB GLU 11 -10.870 -7.915 -5.563 26 1HG GLU 11 2HG GLU 11 -10.303 -10.185 -7.456 27 2HG GLU 11 1HG GLU 11 -11.897 -9.704 -6.879 28 H LEU 12 H LEU 12 -8.907 -5.861 -5.393 29 HA LEU 12 HA LEU 12 -8.513 -6.044 -2.630 30 1HB LEU 12 2HB LEU 12 -6.285 -6.856 -3.205 31 2HB LEU 12 1HB LEU 12 -6.005 -5.437 -4.198 32 HG LEU 12 HG LEU 12 -6.110 -4.016 -2.190 33 1HD1 LEU 12 1HD1 LEU 12 -6.185 -4.972 0.015 34 2HD1 LEU 12 2HD1 LEU 12 -6.276 -6.601 -0.654 35 3HD1 LEU 12 3HD1 LEU 12 -7.614 -5.477 -0.885 36 1HD2 LEU 12 1HD2 LEU 12 -3.933 -4.644 -2.819 37 2HD2 LEU 12 2HD2 LEU 12 -4.151 -6.293 -2.231 38 3HD2 LEU 12 3HD2 LEU 12 -4.024 -4.958 -1.085 39 H ILE 13 H ILE 13 -8.023 -4.162 -5.562 40 HA ILE 13 HA ILE 13 -7.821 -1.610 -4.523 41 HB ILE 13 HB ILE 13 -9.358 -2.347 -7.015 42 1HG1 ILE 13 2HG1 ILE 13 -6.409 -1.748 -6.661 43 2HG1 ILE 13 1HG1 ILE 13 -7.094 -3.331 -7.014 44 1HG2 ILE 13 1HG2 ILE 13 -9.803 -0.104 -6.645 45 2HG2 ILE 13 2HG2 ILE 13 -8.373 -0.035 -7.674 46 3HG2 ILE 13 3HG2 ILE 13 -8.219 0.198 -5.931 47 1HD1 ILE 13 1HD1 ILE 13 -6.105 -2.087 -8.960 48 2HD1 ILE 13 2HD1 ILE 13 -7.456 -0.961 -8.819 49 3HD1 ILE 13 3HD1 ILE 13 -7.758 -2.661 -9.176 50 H GLY 14 H GLY 14 -9.417 0.109 -4.348 51 1HA GLY 14 2HA GLY 14 -11.596 0.925 -3.998 52 2HA GLY 14 1HA GLY 14 -12.188 -0.728 -3.974 53 H LEU 15 H LEU 15 -9.619 -0.931 -2.040 54 HA LEU 15 HA LEU 15 -11.238 -0.531 0.363 55 1HB LEU 15 2HB LEU 15 -8.597 -1.945 0.001 56 2HB LEU 15 1HB LEU 15 -9.532 -1.893 1.482 57 HG LEU 15 HG LEU 15 -10.410 -3.203 -1.091 58 1HD1 LEU 15 1HD1 LEU 15 -9.973 -4.766 1.368 59 2HD1 LEU 15 2HD1 LEU 15 -8.524 -4.146 0.576 60 3HD1 LEU 15 3HD1 LEU 15 -9.644 -5.176 -0.314 61 1HD2 LEU 15 1HD2 LEU 15 -11.775 -2.570 1.446 62 2HD2 LEU 15 2HD2 LEU 15 -12.021 -4.198 0.815 63 3HD2 LEU 15 3HD2 LEU 15 -12.435 -2.796 -0.172 64 H SER 16 H SER 16 -10.150 0.326 2.311 65 HA SER 16 HA SER 16 -8.534 2.653 1.593 66 1HB SER 16 2HB SER 16 -9.057 3.470 3.857 67 2HB SER 16 1HB SER 16 -10.531 3.040 2.989 68 HG SER 16 HG SER 16 -9.191 1.497 4.958 69 H VAL 17 H VAL 17 -6.569 3.141 2.686 70 HA VAL 17 HA VAL 17 -5.391 1.040 4.320 71 HB VAL 17 HB VAL 17 -4.768 0.316 2.114 72 1HG1 VAL 17 1HG1 VAL 17 -3.327 1.861 0.695 73 2HG1 VAL 17 2HG1 VAL 17 -3.930 3.170 1.709 74 3HG1 VAL 17 3HG1 VAL 17 -5.057 2.204 0.755 75 1HG2 VAL 17 1HG2 VAL 17 -2.484 1.680 3.533 76 2HG2 VAL 17 2HG2 VAL 17 -2.294 0.480 2.256 77 3HG2 VAL 17 3HG2 VAL 17 -3.060 0.031 3.780 78 H ARG 18 H ARG 18 -4.236 1.875 5.924 79 HA ARG 18 HA ARG 18 -3.371 4.684 5.692 80 1HB ARG 18 2HB ARG 18 -4.180 3.155 8.170 81 2HB ARG 18 1HB ARG 18 -3.608 4.817 8.145 82 1HG ARG 18 2HG ARG 18 -5.540 5.464 6.796 83 2HG ARG 18 1HG ARG 18 -6.114 3.795 6.823 84 1HD ARG 18 2HD ARG 18 -6.299 3.899 9.258 85 2HD ARG 18 1HD ARG 18 -5.716 5.561 9.235 86 HE ARG 18 HE ARG 18 -7.956 5.388 7.568 87 1HH1 ARG 18 1HH1 ARG 18 -7.152 5.155 10.956 88 2HH1 ARG 18 2HH1 ARG 18 -8.704 5.708 11.490 89 1HH2 ARG 18 1HH2 ARG 18 -9.996 6.117 8.268 90 2HH2 ARG 18 2HH2 ARG 18 -10.319 6.254 9.964 91 H ILE 19 H ILE 19 -1.316 5.232 6.201 92 HA ILE 19 HA ILE 19 0.551 3.028 6.673 93 HB ILE 19 HB ILE 19 1.075 5.860 5.760 94 1HG1 ILE 19 2HG1 ILE 19 1.674 4.774 3.604 95 2HG1 ILE 19 1HG1 ILE 19 1.130 3.233 4.257 96 1HG2 ILE 19 1HG2 ILE 19 3.323 4.541 5.131 97 2HG2 ILE 19 2HG2 ILE 19 2.864 3.666 6.591 98 3HG2 ILE 19 3HG2 ILE 19 3.103 5.413 6.647 99 1HD1 ILE 19 1HD1 ILE 19 -1.115 3.870 4.214 100 2HD1 ILE 19 2HD1 ILE 19 -0.464 4.564 2.728 101 3HD1 ILE 19 3HD1 ILE 19 -0.722 5.588 4.141 102 H ALA 20 H ALA 20 1.702 2.836 8.502 103 HA ALA 20 HA ALA 20 1.298 4.864 10.579 104 1HB ALA 20 1HB ALA 20 2.600 2.324 11.299 105 2HB ALA 20 2HB ALA 20 0.934 2.197 10.735 106 3HB ALA 20 3HB ALA 20 1.321 3.217 12.120 107 H ARG 21 H ARG 21 3.713 3.320 8.651 108 HA ARG 21 HA ARG 21 5.657 5.290 9.370 109 1HB ARG 21 2HB ARG 21 6.173 2.388 10.030 110 2HB ARG 21 1HB ARG 21 7.406 3.641 10.020 111 1HG ARG 21 2HG ARG 21 6.168 4.833 11.788 112 2HG ARG 21 1HG ARG 21 5.000 3.509 11.828 113 1HD ARG 21 2HD ARG 21 6.653 3.266 13.607 114 2HD ARG 21 1HD ARG 21 6.781 1.950 12.441 115 HE ARG 21 HE ARG 21 8.920 2.615 12.051 116 1HH1 ARG 21 1HH1 ARG 21 7.167 5.346 13.337 117 2HH1 ARG 21 2HH1 ARG 21 8.543 6.395 13.322 118 1HH2 ARG 21 1HH2 ARG 21 10.733 3.992 12.038 119 2HH2 ARG 21 2HH2 ARG 21 10.569 5.626 12.588 120 H SER 22 H SER 22 6.897 5.747 7.649 121 HA SER 22 HA SER 22 7.038 3.748 5.490 122 1HB SER 22 2HB SER 22 5.482 5.524 4.859 123 2HB SER 22 1HB SER 22 6.711 6.742 5.196 124 HG SER 22 HG SER 22 6.308 5.678 2.918 125 H VAL 23 H VAL 23 8.884 3.924 4.076 126 HA VAL 23 HA VAL 23 11.316 4.147 5.430 127 HB VAL 23 HB VAL 23 11.072 2.793 3.414 128 1HG1 VAL 23 1HG1 VAL 23 9.685 3.867 1.932 129 2HG1 VAL 23 2HG1 VAL 23 11.256 4.199 1.200 130 3HG1 VAL 23 3HG1 VAL 23 10.458 5.434 2.175 131 1HG2 VAL 23 1HG2 VAL 23 13.163 3.423 2.291 132 2HG2 VAL 23 2HG2 VAL 23 13.311 3.522 4.046 133 3HG2 VAL 23 3HG2 VAL 23 13.116 4.994 3.094 134 H HIS 24 H HIS 24 9.418 6.523 3.756 135 HA HIS 24 HA HIS 24 11.506 8.528 4.306 136 1HB HIS 24 2HB HIS 24 9.601 8.476 1.954 137 2HB HIS 24 1HB HIS 24 10.737 9.771 2.315 138 HD1 HIS 24 1HD HIS 24 13.358 8.629 2.608 139 HD2 HIS 24 2HD HIS 24 10.603 6.880 0.033 140 HE1 HIS 24 1HE HIS 24 14.719 7.264 0.993 141 HE2 HIS 24 2HE HIS 24 13.025 6.149 -0.504 142 H ARG 25 H ARG 25 10.884 10.087 5.648 143 HA ARG 25 HA ARG 25 8.375 10.163 6.859 144 1HB ARG 25 2HB ARG 25 10.388 11.114 7.885 145 2HB ARG 25 1HB ARG 25 10.426 12.373 6.656 146 1HG ARG 25 2HG ARG 25 8.300 13.244 7.467 147 2HG ARG 25 1HG ARG 25 8.239 11.970 8.686 148 1HD ARG 25 2HD ARG 25 10.308 12.828 9.678 149 2HD ARG 25 1HD ARG 25 10.361 14.104 8.461 150 HE ARG 25 HE ARG 25 7.895 14.241 9.774 151 1HH1 ARG 25 1HH1 ARG 25 11.284 14.735 10.449 152 2HH1 ARG 25 2HH1 ARG 25 10.995 15.917 11.681 153 1HH2 ARG 25 1HH2 ARG 25 7.513 15.797 11.393 154 2HH2 ARG 25 2HH2 ARG 25 8.853 16.521 12.216 155 H ASP 26 H ASP 26 9.428 11.497 3.876 156 HA ASP 26 HA ASP 26 7.609 13.622 3.619 157 1HB ASP 26 2HB ASP 26 8.853 11.909 1.462 158 2HB ASP 26 1HB ASP 26 8.047 13.450 1.195 159 H ILE 27 H ILE 27 7.231 10.220 3.326 160 HA ILE 27 HA ILE 27 4.511 10.581 2.324 161 HB ILE 27 HB ILE 27 6.151 8.062 2.164 162 1HG1 ILE 27 2HG1 ILE 27 7.081 9.901 0.768 163 2HG1 ILE 27 1HG1 ILE 27 6.478 8.553 -0.192 164 1HG2 ILE 27 1HG2 ILE 27 3.380 8.793 1.447 165 2HG2 ILE 27 2HG2 ILE 27 4.048 7.249 1.974 166 3HG2 ILE 27 3HG2 ILE 27 4.247 7.772 0.302 167 1HD1 ILE 27 1HD1 ILE 27 5.066 11.170 0.292 168 2HD1 ILE 27 2HD1 ILE 27 4.423 9.816 -0.638 169 3HD1 ILE 27 3HD1 ILE 27 5.864 10.666 -1.197 170 H GLN 28 H GLN 28 6.447 9.461 4.921 171 HA GLN 28 HA GLN 28 4.832 7.536 6.097 172 1HB GLN 28 2HB GLN 28 7.099 8.047 6.877 173 2HB GLN 28 1HB GLN 28 6.554 9.611 7.467 174 1HG GLN 28 2HG GLN 28 5.134 8.547 9.100 175 2HG GLN 28 1HG GLN 28 5.546 6.957 8.461 176 1HE2 GLN 28 1HE2 GLN 28 6.098 8.929 10.947 177 2HE2 GLN 28 2HE2 GLN 28 7.700 8.452 11.385 178 H GLY 29 H GLY 29 3.285 7.619 7.774 179 1HA GLY 29 2HA GLY 29 1.525 8.497 8.981 180 2HA GLY 29 1HA GLY 29 2.167 10.101 8.665 181 H ILE 30 H ILE 30 1.862 8.498 5.760 182 HA ILE 30 HA ILE 30 -0.312 10.140 4.938 183 HB ILE 30 HB ILE 30 1.509 9.566 3.394 184 1HG1 ILE 30 2HG1 ILE 30 -1.172 8.470 2.509 185 2HG1 ILE 30 1HG1 ILE 30 -0.707 10.170 2.493 186 1HG2 ILE 30 1HG2 ILE 30 1.564 7.141 4.369 187 2HG2 ILE 30 2HG2 ILE 30 2.034 7.445 2.698 188 3HG2 ILE 30 3HG2 ILE 30 0.430 6.810 3.061 189 1HD1 ILE 30 1HD1 ILE 30 1.018 9.699 0.845 190 2HD1 ILE 30 2HD1 ILE 30 -0.556 9.147 0.272 191 3HD1 ILE 30 3HD1 ILE 30 0.614 7.983 0.892 192 H SER 31 H SER 31 -2.326 9.415 4.064 193 HA SER 31 HA SER 31 -3.203 6.713 4.655 194 1HB SER 31 2HB SER 31 -4.530 9.113 5.944 195 2HB SER 31 1HB SER 31 -5.130 7.456 6.005 196 HG SER 31 HG SER 31 -2.940 8.613 7.300 197 H GLY 32 H GLY 32 -4.894 6.055 3.346 198 1HA GLY 32 2HA GLY 32 -6.733 7.725 2.072 199 2HA GLY 32 1HA GLY 32 -5.355 7.554 0.995 200 H ARG 33 H ARG 33 -6.922 6.588 -0.446 201 HA ARG 33 HA ARG 33 -7.710 3.879 0.283 202 1HB ARG 33 2HB ARG 33 -9.391 5.563 -0.613 203 2HB ARG 33 1HB ARG 33 -8.620 5.339 -2.164 204 1HG ARG 33 2HG ARG 33 -9.247 3.047 -2.253 205 2HG ARG 33 1HG ARG 33 -9.732 3.058 -0.561 206 1HD ARG 33 2HD ARG 33 -11.096 4.364 -2.900 207 2HD ARG 33 1HD ARG 33 -11.715 3.097 -1.850 208 HE ARG 33 HE ARG 33 -11.887 5.885 -1.403 209 1HH1 ARG 33 1HH1 ARG 33 -11.442 2.854 0.271 210 2HH1 ARG 33 2HH1 ARG 33 -12.046 3.456 1.778 211 1HH2 ARG 33 1HH2 ARG 33 -12.685 6.674 0.576 212 2HH2 ARG 33 2HH2 ARG 33 -12.753 5.623 1.951 213 H VAL 34 H VAL 34 -7.657 2.334 -1.709 214 HA VAL 34 HA VAL 34 -4.863 2.278 -2.546 215 HB VAL 34 HB VAL 34 -5.692 0.384 -1.223 216 1HG1 VAL 34 1HG1 VAL 34 -7.853 -0.105 -1.694 217 2HG1 VAL 34 2HG1 VAL 34 -7.081 -1.278 -2.752 218 3HG1 VAL 34 3HG1 VAL 34 -7.678 0.244 -3.412 219 1HG2 VAL 34 1HG2 VAL 34 -4.682 -1.347 -2.542 220 2HG2 VAL 34 2HG2 VAL 34 -3.815 0.160 -2.837 221 3HG2 VAL 34 3HG2 VAL 34 -4.969 -0.441 -4.027 222 H VAL 35 H VAL 35 -4.218 1.456 -4.635 223 HA VAL 35 HA VAL 35 -6.301 1.587 -6.682 224 HB VAL 35 HB VAL 35 -4.860 3.773 -6.525 225 1HG1 VAL 35 1HG1 VAL 35 -3.053 2.005 -8.149 226 2HG1 VAL 35 2HG1 VAL 35 -2.682 2.719 -6.584 227 3HG1 VAL 35 3HG1 VAL 35 -2.922 3.752 -7.988 228 1HG2 VAL 35 1HG2 VAL 35 -6.547 2.969 -8.291 229 2HG2 VAL 35 2HG2 VAL 35 -5.125 2.555 -9.249 230 3HG2 VAL 35 3HG2 VAL 35 -5.396 4.224 -8.752 231 H ASP 36 H ASP 36 -2.876 0.841 -6.037 232 HA ASP 36 HA ASP 36 -3.187 -1.739 -7.256 233 1HB ASP 36 2HB ASP 36 -1.349 0.287 -8.540 234 2HB ASP 36 1HB ASP 36 -1.402 -1.426 -8.941 235 H GLU 37 H GLU 37 -1.345 -3.110 -7.037 236 HA GLU 37 HA GLU 37 0.568 -2.230 -4.974 237 1HB GLU 37 2HB GLU 37 -1.012 -3.875 -4.075 238 2HB GLU 37 1HB GLU 37 -0.633 -4.979 -5.389 239 1HG GLU 37 2HG GLU 37 1.678 -5.130 -4.575 240 2HG GLU 37 1HG GLU 37 1.261 -4.060 -3.239 241 H THR 38 H THR 38 2.583 -2.104 -5.762 242 HA THR 38 HA THR 38 3.295 -3.853 -8.025 243 HB THR 38 HB THR 38 4.455 -1.154 -7.312 244 HG1 THR 38 1HG THR 38 2.608 -1.916 -9.324 245 1HG2 THR 38 1HG2 THR 38 5.903 -2.800 -8.629 246 2HG2 THR 38 2HG2 THR 38 5.660 -1.187 -9.294 247 3HG2 THR 38 3HG2 THR 38 4.749 -2.552 -9.938 248 H ARG 39 H ARG 39 5.371 -4.751 -8.124 249 HA ARG 39 HA ARG 39 6.399 -5.846 -5.785 250 1HB ARG 39 2HB ARG 39 6.763 -6.813 -7.987 251 2HB ARG 39 1HB ARG 39 7.768 -5.445 -8.438 252 1HG ARG 39 2HG ARG 39 9.387 -6.065 -6.717 253 2HG ARG 39 1HG ARG 39 8.372 -7.431 -6.256 254 1HD ARG 39 2HD ARG 39 9.657 -7.005 -8.951 255 2HD ARG 39 1HD ARG 39 10.206 -8.132 -7.712 256 HE ARG 39 HE ARG 39 7.531 -8.702 -8.300 257 1HH1 ARG 39 1HH1 ARG 39 10.668 -8.852 -9.822 258 2HH1 ARG 39 2HH1 ARG 39 10.246 -10.183 -10.846 259 1HH2 ARG 39 1HH2 ARG 39 6.975 -10.453 -9.646 260 2HH2 ARG 39 2HH2 ARG 39 8.149 -11.092 -10.747 261 H ASN 40 H ASN 40 6.799 -2.661 -6.905 262 HA ASN 40 HA ASN 40 8.818 -2.238 -4.853 263 1HB ASN 40 2HB ASN 40 10.211 -0.850 -6.326 264 2HB ASN 40 1HB ASN 40 10.136 -2.523 -6.850 265 1HD2 ASN 40 1HD2 ASN 40 7.218 -1.139 -7.666 266 2HD2 ASN 40 2HD2 ASN 40 7.592 -0.677 -9.279 267 H THR 41 H THR 41 5.874 -1.405 -5.788 268 HA THR 41 HA THR 41 6.046 1.136 -4.451 269 HB THR 41 HB THR 41 4.838 2.341 -6.334 270 HG1 THR 41 1HG THR 41 6.039 0.382 -7.967 271 1HG2 THR 41 1HG2 THR 41 7.653 1.569 -7.006 272 2HG2 THR 41 2HG2 THR 41 7.225 2.705 -5.727 273 3HG2 THR 41 3HG2 THR 41 6.806 3.065 -7.403 274 H LEU 42 H LEU 42 4.089 2.029 -3.840 275 HA LEU 42 HA LEU 42 1.712 0.320 -4.207 276 1HB LEU 42 2HB LEU 42 2.707 -0.038 -1.961 277 2HB LEU 42 1HB LEU 42 2.556 1.674 -1.636 278 HG LEU 42 HG LEU 42 0.807 0.325 -0.537 279 1HD1 LEU 42 1HD1 LEU 42 -0.903 1.836 -0.892 280 2HD1 LEU 42 2HD1 LEU 42 -0.593 1.943 -2.625 281 3HD1 LEU 42 3HD1 LEU 42 0.494 2.734 -1.483 282 1HD2 LEU 42 1HD2 LEU 42 -0.878 -0.172 -2.793 283 2HD2 LEU 42 2HD2 LEU 42 -0.252 -1.314 -1.603 284 3HD2 LEU 42 3HD2 LEU 42 0.681 -0.952 -3.056 285 H ARG 43 H ARG 43 0.274 1.500 -5.326 286 HA ARG 43 HA ARG 43 0.259 4.396 -4.850 287 1HB ARG 43 2HB ARG 43 0.654 3.658 -7.167 288 2HB ARG 43 1HB ARG 43 -0.914 2.873 -7.178 289 1HG ARG 43 2HG ARG 43 -2.047 4.963 -7.016 290 2HG ARG 43 1HG ARG 43 -0.541 5.813 -6.680 291 1HD ARG 43 2HD ARG 43 -1.388 6.073 -9.026 292 2HD ARG 43 1HD ARG 43 0.257 5.454 -8.895 293 HE ARG 43 HE ARG 43 -1.410 3.250 -9.048 294 1HH1 ARG 43 1HH1 ARG 43 -0.573 5.982 -11.048 295 2HH1 ARG 43 2HH1 ARG 43 -0.829 5.131 -12.534 296 1HH2 ARG 43 1HH2 ARG 43 -1.749 2.129 -11.000 297 2HH2 ARG 43 2HH2 ARG 43 -1.497 2.944 -12.507 298 H ILE 44 H ILE 44 -1.424 5.428 -4.087 299 HA ILE 44 HA ILE 44 -3.661 3.875 -3.027 300 HB ILE 44 HB ILE 44 -2.323 6.459 -2.322 301 1HG1 ILE 44 2HG1 ILE 44 -3.136 4.041 -0.710 302 2HG1 ILE 44 1HG1 ILE 44 -1.519 4.400 -1.309 303 1HG2 ILE 44 1HG2 ILE 44 -4.577 6.049 -0.590 304 2HG2 ILE 44 2HG2 ILE 44 -5.100 6.328 -2.250 305 3HG2 ILE 44 3HG2 ILE 44 -4.056 7.495 -1.447 306 1HD1 ILE 44 1HD1 ILE 44 -1.802 6.587 0.077 307 2HD1 ILE 44 2HD1 ILE 44 -1.371 5.074 0.875 308 3HD1 ILE 44 3HD1 ILE 44 -3.037 5.654 0.924 309 H GLU 45 H GLU 45 -5.650 3.976 -3.956 310 HA GLU 45 HA GLU 45 -6.370 6.514 -5.223 311 1HB GLU 45 2HB GLU 45 -5.986 5.078 -7.088 312 2HB GLU 45 1HB GLU 45 -6.900 3.764 -6.354 313 1HG GLU 45 2HG GLU 45 -8.946 5.080 -6.561 314 2HG GLU 45 1HG GLU 45 -8.027 6.401 -7.278 315 H MET 46 H MET 46 -8.243 7.288 -4.749 316 HA MET 46 HA MET 46 -10.086 5.707 -3.102 317 1HB MET 46 2HB MET 46 -10.654 7.748 -1.883 318 2HB MET 46 1HB MET 46 -8.943 7.372 -1.743 319 1HG MET 46 2HG MET 46 -8.668 9.003 -3.722 320 2HG MET 46 1HG MET 46 -10.275 9.563 -3.266 321 1HE MET 46 1HE MET 46 -6.612 9.156 -2.420 322 2HE MET 46 2HE MET 46 -7.137 8.414 -0.907 323 3HE MET 46 3HE MET 46 -6.382 10.006 -0.890 324 H ASP 47 H ASP 47 -12.206 5.765 -3.538 325 HA ASP 47 HA ASP 47 -13.187 6.046 -6.027 326 1HB ASP 47 2HB ASP 47 -14.708 6.578 -3.474 327 2HB ASP 47 1HB ASP 47 -15.442 6.223 -5.035 328 H ASP 48 H ASP 48 -12.651 8.660 -3.810 329 HA ASP 48 HA ASP 48 -14.289 10.607 -4.985 330 1HB ASP 48 2HB ASP 48 -11.606 10.979 -3.631 331 2HB ASP 48 1HB ASP 48 -12.778 12.256 -3.948 332 H GLY 49 H GLY 49 -11.602 8.985 -6.243 333 1HA GLY 49 2HA GLY 49 -10.907 9.151 -8.481 334 2HA GLY 49 1HA GLY 49 -11.520 10.799 -8.529 335 H ARG 50 H ARG 50 -9.695 9.903 -5.779 336 HA ARG 50 HA ARG 50 -7.452 11.530 -6.788 337 1HB ARG 50 2HB ARG 50 -8.271 10.941 -3.953 338 2HB ARG 50 1HB ARG 50 -6.872 11.892 -4.413 339 1HG ARG 50 2HG ARG 50 -9.745 12.563 -5.015 340 2HG ARG 50 1HG ARG 50 -8.737 13.311 -3.774 341 1HD ARG 50 2HD ARG 50 -7.206 14.111 -5.519 342 2HD ARG 50 1HD ARG 50 -8.237 13.378 -6.749 343 HE ARG 50 HE ARG 50 -9.552 15.227 -6.630 344 1HH1 ARG 50 1HH1 ARG 50 -7.800 14.965 -3.621 345 2HH1 ARG 50 2HH1 ARG 50 -8.477 16.414 -2.958 346 1HH2 ARG 50 1HH2 ARG 50 -10.434 17.136 -5.762 347 2HH2 ARG 50 2HH2 ARG 50 -9.971 17.648 -4.174 348 H GLU 51 H GLU 51 -5.690 10.481 -7.383 349 HA GLU 51 HA GLU 51 -5.072 7.948 -6.028 350 1HB GLU 51 2HB GLU 51 -4.042 7.185 -8.093 351 2HB GLU 51 1HB GLU 51 -5.704 7.676 -8.388 352 1HG GLU 51 2HG GLU 51 -4.885 9.830 -9.260 353 2HG GLU 51 1HG GLU 51 -3.231 9.259 -9.042 354 H ILE 52 H ILE 52 -3.372 8.158 -4.702 355 HA ILE 52 HA ILE 52 -1.154 9.922 -5.516 356 HB ILE 52 HB ILE 52 -2.338 10.889 -3.612 357 1HG1 ILE 52 2HG1 ILE 52 0.343 9.706 -2.843 358 2HG1 ILE 52 1HG1 ILE 52 0.097 11.188 -3.768 359 1HG2 ILE 52 1HG2 ILE 52 -2.446 9.753 -1.466 360 2HG2 ILE 52 2HG2 ILE 52 -1.667 8.333 -2.161 361 3HG2 ILE 52 3HG2 ILE 52 -3.272 8.813 -2.709 362 1HD1 ILE 52 1HD1 ILE 52 -0.988 12.223 -1.836 363 2HD1 ILE 52 2HD1 ILE 52 0.637 11.668 -1.430 364 3HD1 ILE 52 3HD1 ILE 52 -0.771 10.738 -0.912 365 H THR 53 H THR 53 0.775 8.973 -5.701 366 HA THR 53 HA THR 53 1.073 6.176 -5.289 367 HB THR 53 HB THR 53 2.221 7.299 -7.108 368 HG1 THR 53 1HG THR 53 4.131 6.386 -5.225 369 1HG2 THR 53 1HG2 THR 53 2.955 9.370 -6.662 370 2HG2 THR 53 2HG2 THR 53 4.430 8.522 -6.196 371 3HG2 THR 53 3HG2 THR 53 3.267 9.012 -4.964 372 H VAL 54 H VAL 54 2.608 5.092 -3.979 373 HA VAL 54 HA VAL 54 3.753 6.517 -1.710 374 HB VAL 54 HB VAL 54 1.895 4.162 -1.314 375 1HG1 VAL 54 1HG1 VAL 54 2.287 4.401 1.026 376 2HG1 VAL 54 2HG1 VAL 54 3.221 5.877 0.781 377 3HG1 VAL 54 3HG1 VAL 54 3.862 4.327 0.236 378 1HG2 VAL 54 1HG2 VAL 54 0.464 5.783 -0.109 379 2HG2 VAL 54 2HG2 VAL 54 0.619 6.152 -1.827 380 3HG2 VAL 54 3HG2 VAL 54 1.533 7.082 -0.640 381 HA PRO 55 HA PRO 55 6.926 3.555 -2.644 382 1HB PRO 55 2HB PRO 55 8.574 3.973 -0.558 383 2HB PRO 55 1HB PRO 55 8.360 5.170 -1.841 384 1HG PRO 55 2HG PRO 55 7.112 5.071 0.880 385 2HG PRO 55 1HG PRO 55 7.821 6.453 0.025 386 1HD PRO 55 2HD PRO 55 5.142 5.985 0.131 387 2HD PRO 55 1HD PRO 55 5.928 6.806 -1.231 388 H LYS 56 H LYS 56 7.350 1.472 -2.296 389 HA LYS 56 HA LYS 56 6.106 0.165 0.012 390 1HB LYS 56 2HB LYS 56 6.875 -0.764 -2.727 391 2HB LYS 56 1HB LYS 56 6.673 -1.929 -1.428 392 1HG LYS 56 2HG LYS 56 4.381 -1.121 -1.088 393 2HG LYS 56 1HG LYS 56 4.594 -0.008 -2.442 394 1HD LYS 56 2HD LYS 56 4.902 -1.829 -3.967 395 2HD LYS 56 1HD LYS 56 4.916 -2.998 -2.647 396 1HE LYS 56 2HE LYS 56 2.576 -1.279 -3.464 397 2HE LYS 56 1HE LYS 56 2.773 -2.991 -3.828 398 1HZ LYS 56 1HZ LYS 56 2.717 -3.476 -1.472 399 2HZ LYS 56 2HZ LYS 56 1.327 -2.622 -1.918 400 3HZ LYS 56 3HZ LYS 56 2.577 -1.831 -1.100 401 H GLY 57 H GLY 57 9.123 1.273 -0.792 402 1HA GLY 57 2HA GLY 57 10.907 -0.764 -0.385 403 2HA GLY 57 1HA GLY 57 11.184 0.881 0.163 404 H ILE 58 H ILE 58 9.378 1.157 2.199 405 HA ILE 58 HA ILE 58 9.435 -1.054 3.999 406 HB ILE 58 HB ILE 58 11.075 1.365 4.779 407 1HG1 ILE 58 2HG1 ILE 58 12.946 -0.428 4.926 408 2HG1 ILE 58 1HG1 ILE 58 11.929 -1.366 3.841 409 1HG2 ILE 58 1HG2 ILE 58 10.870 -1.228 6.277 410 2HG2 ILE 58 2HG2 ILE 58 9.740 0.097 6.540 411 3HG2 ILE 58 3HG2 ILE 58 11.459 0.334 6.846 412 1HD1 ILE 58 1HD1 ILE 58 12.083 1.164 2.690 413 2HD1 ILE 58 2HD1 ILE 58 12.906 -0.305 2.164 414 3HD1 ILE 58 3HD1 ILE 58 13.710 0.810 3.268 415 H ALA 59 H ALA 59 7.178 -0.192 3.393 416 HA ALA 59 HA ALA 59 6.476 1.908 5.329 417 1HB ALA 59 1HB ALA 59 6.268 2.335 2.760 418 2HB ALA 59 2HB ALA 59 5.046 2.938 3.879 419 3HB ALA 59 3HB ALA 59 4.749 1.462 2.960 420 H VAL 60 H VAL 60 5.506 1.019 7.039 421 HA VAL 60 HA VAL 60 3.906 -1.369 6.809 422 HB VAL 60 HB VAL 60 5.270 -0.972 8.820 423 1HG1 VAL 60 1HG1 VAL 60 4.994 0.786 10.275 424 2HG1 VAL 60 2HG1 VAL 60 3.333 1.088 9.767 425 3HG1 VAL 60 3HG1 VAL 60 4.674 1.574 8.730 426 1HG2 VAL 60 1HG2 VAL 60 2.294 -1.082 9.298 427 2HG2 VAL 60 2HG2 VAL 60 3.522 -1.499 10.494 428 3HG2 VAL 60 3HG2 VAL 60 3.375 -2.449 9.014 429 H PHE 61 H PHE 61 1.762 -1.461 6.454 430 HA PHE 61 HA PHE 61 0.049 0.684 7.333 431 1HB PHE 61 2HB PHE 61 -0.924 0.982 4.995 432 2HB PHE 61 1HB PHE 61 0.633 1.732 5.316 433 HD1 PHE 61 1HD PHE 61 -0.731 -1.494 4.009 434 HD2 PHE 61 2HD PHE 61 2.262 1.518 3.738 435 HE1 PHE 61 1HE PHE 61 0.234 -2.629 2.048 436 HE2 PHE 61 2HE PHE 61 3.229 0.389 1.779 437 HZ PHE 61 HZ PHE 61 2.213 -1.687 0.932 438 H HIS 62 H HIS 62 -2.064 0.135 7.530 439 HA HIS 62 HA HIS 62 -2.721 -2.675 6.933 440 1HB HIS 62 2HB HIS 62 -3.961 -0.963 9.094 441 2HB HIS 62 1HB HIS 62 -4.099 -2.707 8.893 442 HD1 HIS 62 1HD HIS 62 -1.366 -3.748 8.833 443 HD2 HIS 62 2HD HIS 62 -2.361 -0.484 11.200 444 HE1 HIS 62 1HE HIS 62 0.398 -3.654 10.621 445 HE2 HIS 62 2HE HIS 62 -0.268 -1.716 12.087 446 H PHE 63 H PHE 63 -4.580 -3.114 5.828 447 HA PHE 63 HA PHE 63 -5.990 -0.814 4.714 448 1HB PHE 63 2HB PHE 63 -6.127 -3.748 3.984 449 2HB PHE 63 1HB PHE 63 -6.996 -2.464 3.155 450 HD1 PHE 63 1HD PHE 63 -6.110 -1.860 1.146 451 HD2 PHE 63 2HD PHE 63 -3.474 -3.097 4.250 452 HE1 PHE 63 1HE PHE 63 -4.190 -1.534 -0.357 453 HE2 PHE 63 2HE PHE 63 -1.554 -2.770 2.754 454 HZ PHE 63 HZ PHE 63 -1.907 -1.987 0.447 455 H ARG 64 H ARG 64 -8.299 -0.716 4.658 456 HA ARG 64 HA ARG 64 -9.714 -2.412 6.576 457 1HB ARG 64 2HB ARG 64 -9.743 0.604 6.660 458 2HB ARG 64 1HB ARG 64 -10.787 -0.448 7.608 459 1HG ARG 64 2HG ARG 64 -8.333 -1.436 8.224 460 2HG ARG 64 1HG ARG 64 -7.982 0.280 8.007 461 1HD ARG 64 2HD ARG 64 -10.122 -0.871 9.780 462 2HD ARG 64 1HD ARG 64 -8.565 -0.252 10.328 463 HE ARG 64 HE ARG 64 -9.858 1.754 8.863 464 1HH1 ARG 64 1HH1 ARG 64 -10.197 0.037 11.882 465 2HH1 ARG 64 2HH1 ARG 64 -10.996 1.348 12.683 466 1HH2 ARG 64 1HH2 ARG 64 -10.909 3.480 9.914 467 2HH2 ARG 64 2HH2 ARG 64 -11.401 3.303 11.565 468 H THR 65 H THR 65 -11.779 -2.871 6.005 469 HA THR 65 HA THR 65 -12.799 -1.557 3.574 470 HB THR 65 HB THR 65 -13.410 -4.327 4.624 471 HG1 THR 65 1HG THR 65 -11.383 -4.361 3.771 472 1HG2 THR 65 1HG2 THR 65 -14.924 -4.629 3.020 473 2HG2 THR 65 2HG2 THR 65 -13.988 -3.726 1.830 474 3HG2 THR 65 3HG2 THR 65 -15.010 -2.868 2.981 475 HA PRO 66 HA PRO 66 -16.053 0.308 5.943 476 1HB PRO 66 2HB PRO 66 -18.022 -0.003 3.951 477 2HB PRO 66 1HB PRO 66 -16.981 1.401 4.192 478 1HG PRO 66 2HG PRO 66 -16.695 -0.869 2.289 479 2HG PRO 66 1HG PRO 66 -16.246 0.834 2.088 480 1HD PRO 66 2HD PRO 66 -14.394 -1.044 2.528 481 2HD PRO 66 1HD PRO 66 -14.250 0.573 3.253 482 H GLN 67 H GLN 67 -16.449 -2.784 4.335 483 HA GLN 67 HA GLN 67 -18.873 -3.552 5.557 484 1HB GLN 67 2HB GLN 67 -16.610 -5.281 4.539 485 2HB GLN 67 1HB GLN 67 -18.229 -5.848 4.924 486 1HG GLN 67 2HG GLN 67 -19.146 -4.415 3.167 487 2HG GLN 67 1HG GLN 67 -17.518 -3.864 2.776 488 1HE2 GLN 67 1HE2 GLN 67 -19.884 -5.884 1.831 489 2HE2 GLN 67 2HE2 GLN 67 -18.952 -7.086 1.014 490 H GLY 68 H GLY 68 -15.744 -3.176 6.833 491 1HA GLY 68 2HA GLY 68 -15.419 -3.225 9.205 492 2HA GLY 68 1HA GLY 68 -16.602 -4.521 9.302 493 H GLU 69 H GLU 69 -13.748 -4.131 7.215 494 HA GLU 69 HA GLU 69 -12.710 -6.646 8.366 495 1HB GLU 69 2HB GLU 69 -12.359 -5.632 5.540 496 2HB GLU 69 1HB GLU 69 -11.702 -7.127 6.186 497 1HG GLU 69 2HG GLU 69 -13.964 -7.971 6.546 498 2HG GLU 69 1HG GLU 69 -14.624 -6.472 5.895 499 H LEU 70 H LEU 70 -10.515 -6.809 8.775 500 HA LEU 70 HA LEU 70 -8.956 -4.329 8.482 501 1HB LEU 70 2HB LEU 70 -9.680 -4.558 10.798 502 2HB LEU 70 1HB LEU 70 -9.019 -6.180 10.864 503 HG LEU 70 HG LEU 70 -6.751 -5.266 10.564 504 1HD1 LEU 70 1HD1 LEU 70 -6.359 -2.877 10.682 505 2HD1 LEU 70 2HD1 LEU 70 -8.094 -2.572 10.768 506 3HD1 LEU 70 3HD1 LEU 70 -7.391 -3.252 9.302 507 1HD2 LEU 70 1HD2 LEU 70 -7.618 -5.644 12.814 508 2HD2 LEU 70 2HD2 LEU 70 -8.304 -4.019 12.831 509 3HD2 LEU 70 3HD2 LEU 70 -6.555 -4.237 12.777 510 H VAL 71 H VAL 71 -7.228 -4.637 7.264 511 HA VAL 71 HA VAL 71 -5.896 -7.267 7.335 512 HB VAL 71 HB VAL 71 -6.110 -5.440 4.936 513 1HG1 VAL 71 1HG1 VAL 71 -5.182 -7.441 3.741 514 2HG1 VAL 71 2HG1 VAL 71 -4.842 -8.144 5.322 515 3HG1 VAL 71 3HG1 VAL 71 -4.058 -6.640 4.837 516 1HG2 VAL 71 1HG2 VAL 71 -8.254 -6.476 5.447 517 2HG2 VAL 71 2HG2 VAL 71 -7.488 -8.064 5.498 518 3HG2 VAL 71 3HG2 VAL 71 -7.560 -7.168 3.981 519 H GLU 72 H GLU 72 -3.580 -7.211 6.848 520 HA GLU 72 HA GLU 72 -2.339 -4.604 7.412 521 1HB GLU 72 2HB GLU 72 -0.700 -5.727 8.865 522 2HB GLU 72 1HB GLU 72 -2.340 -5.890 9.478 523 1HG GLU 72 2HG GLU 72 -2.454 -8.156 8.569 524 2HG GLU 72 1HG GLU 72 -0.807 -7.991 7.962 525 H ILE 73 H ILE 73 -0.293 -4.242 6.522 526 HA ILE 73 HA ILE 73 0.895 -6.306 4.845 527 HB ILE 73 HB ILE 73 -0.015 -3.655 3.714 528 1HG1 ILE 73 2HG1 ILE 73 -1.806 -5.344 3.912 529 2HG1 ILE 73 1HG1 ILE 73 -1.419 -4.987 2.233 530 1HG2 ILE 73 1HG2 ILE 73 0.919 -4.501 1.580 531 2HG2 ILE 73 2HG2 ILE 73 1.616 -5.860 2.463 532 3HG2 ILE 73 3HG2 ILE 73 2.146 -4.214 2.813 533 1HD1 ILE 73 1HD1 ILE 73 -0.240 -7.341 3.674 534 2HD1 ILE 73 2HD1 ILE 73 -0.321 -7.042 1.938 535 3HD1 ILE 73 3HD1 ILE 73 -1.791 -7.419 2.840 536 H ASP 74 H ASP 74 2.885 -6.307 5.681 537 HA ASP 74 HA ASP 74 4.107 -3.958 6.758 538 1HB ASP 74 2HB ASP 74 6.062 -5.422 7.136 539 2HB ASP 74 1HB ASP 74 4.569 -6.143 7.734 540 H GLY 75 H GLY 75 4.618 -2.402 5.371 541 1HA GLY 75 2HA GLY 75 5.410 -2.678 2.707 542 2HA GLY 75 1HA GLY 75 5.695 -1.268 3.696 543 H ARG 76 H ARG 76 7.218 -3.390 5.494 544 HA ARG 76 HA ARG 76 9.785 -2.690 4.483 545 1HB ARG 76 2HB ARG 76 9.372 -2.879 6.887 546 2HB ARG 76 1HB ARG 76 9.000 -4.587 6.697 547 1HG ARG 76 2HG ARG 76 11.294 -5.007 5.971 548 2HG ARG 76 1HG ARG 76 11.666 -3.294 6.161 549 1HD ARG 76 2HD ARG 76 11.128 -3.452 8.549 550 2HD ARG 76 1HD ARG 76 10.773 -5.168 8.351 551 HE ARG 76 HE ARG 76 13.003 -5.566 8.520 552 1HH1 ARG 76 1HH1 ARG 76 12.582 -2.260 7.482 553 2HH1 ARG 76 2HH1 ARG 76 14.279 -1.920 7.458 554 1HH2 ARG 76 1HH2 ARG 76 15.236 -5.116 8.498 555 2HH2 ARG 76 2HH2 ARG 76 15.785 -3.539 8.037 556 H ALA 77 H ALA 77 7.642 -5.289 3.940 557 HA ALA 77 HA ALA 77 9.760 -7.018 2.957 558 1HB ALA 77 1HB ALA 77 8.231 -8.140 4.395 559 2HB ALA 77 2HB ALA 77 7.940 -8.716 2.753 560 3HB ALA 77 3HB ALA 77 6.847 -7.539 3.482 561 H LEU 78 H LEU 78 7.866 -4.600 1.751 562 HA LEU 78 HA LEU 78 7.518 -5.868 -0.869 563 1HB LEU 78 2HB LEU 78 6.430 -3.277 0.237 564 2HB LEU 78 1HB LEU 78 6.193 -3.820 -1.412 565 HG LEU 78 HG LEU 78 4.217 -4.275 -0.079 566 1HD1 LEU 78 1HD1 LEU 78 3.943 -6.037 -1.393 567 2HD1 LEU 78 2HD1 LEU 78 4.825 -7.028 -0.231 568 3HD1 LEU 78 3HD1 LEU 78 5.689 -6.230 -1.545 569 1HD2 LEU 78 1HD2 LEU 78 5.728 -6.245 1.581 570 2HD2 LEU 78 2HD2 LEU 78 4.184 -5.454 1.901 571 3HD2 LEU 78 3HD2 LEU 78 5.687 -4.546 2.049 572 H VAL 79 H VAL 79 10.100 -5.156 0.127 573 HA VAL 79 HA VAL 79 11.191 -2.776 -0.683 574 HB VAL 79 HB VAL 79 12.461 -4.524 0.480 575 1HG1 VAL 79 1HG1 VAL 79 13.511 -6.192 -1.386 576 2HG1 VAL 79 2HG1 VAL 79 11.854 -6.031 -1.964 577 3HG1 VAL 79 3HG1 VAL 79 12.163 -6.599 -0.324 578 1HG2 VAL 79 1HG2 VAL 79 13.567 -2.682 -0.857 579 2HG2 VAL 79 2HG2 VAL 79 13.855 -3.889 -2.109 580 3HG2 VAL 79 3HG2 VAL 79 14.564 -4.093 -0.507 581 H ALA 80 H ALA 80 12.538 -2.280 -2.596 582 HA ALA 80 HA ALA 80 11.146 -2.200 -4.943 583 1HB ALA 80 1HB ALA 80 13.221 -0.909 -4.351 584 2HB ALA 80 2HB ALA 80 13.140 -1.486 -6.017 585 3HB ALA 80 3HB ALA 80 14.151 -2.326 -4.840 586 H ARG 81 H ARG 81 11.680 -3.212 -7.082 587 HA ARG 81 HA ARG 81 11.331 -6.028 -6.936 588 1HB ARG 81 2HB ARG 81 12.335 -4.433 -9.312 589 2HB ARG 81 1HB ARG 81 11.575 -6.016 -9.356 590 1HG ARG 81 2HG ARG 81 9.497 -4.991 -8.505 591 2HG ARG 81 1HG ARG 81 10.273 -3.412 -8.598 592 1HD ARG 81 2HD ARG 81 10.603 -3.704 -10.999 593 2HD ARG 81 1HD ARG 81 9.867 -5.304 -10.917 594 HE ARG 81 HE ARG 81 8.055 -3.418 -9.899 595 1HH1 ARG 81 1HH1 ARG 81 9.527 -4.356 -12.922 596 2HH1 ARG 81 2HH1 ARG 81 8.195 -3.812 -13.886 597 1HH2 ARG 81 1HH2 ARG 81 6.300 -2.701 -11.169 598 2HH2 ARG 81 2HH2 ARG 81 6.364 -2.873 -12.891 599 HA PRO 82 HA PRO 82 15.459 -7.864 -6.630 600 1HB PRO 82 2HB PRO 82 15.056 -8.707 -9.482 601 2HB PRO 82 1HB PRO 82 15.669 -9.649 -8.117 602 1HG PRO 82 2HG PRO 82 13.152 -9.946 -8.983 603 2HG PRO 82 1HG PRO 82 13.559 -10.045 -7.262 604 1HD PRO 82 2HD PRO 82 12.115 -7.925 -8.734 605 2HD PRO 82 1HD PRO 82 12.059 -8.341 -7.011 606 H GLU 83 H GLU 83 14.401 -6.188 -9.427 607 HA GLU 83 HA GLU 83 16.887 -5.105 -10.358 608 1HB GLU 83 2HB GLU 83 14.018 -4.397 -10.927 609 2HB GLU 83 1HB GLU 83 15.401 -3.767 -11.807 610 1HG GLU 83 2HG GLU 83 14.545 -6.653 -11.695 611 2HG GLU 83 1HG GLU 83 14.277 -5.547 -13.042 612 H GLU 84 H GLU 84 15.971 -4.727 -7.570 613 HA GLU 84 HA GLU 84 14.748 -2.577 -6.736 614 1HB GLU 84 2HB GLU 84 17.434 -3.426 -5.660 615 2HB GLU 84 1HB GLU 84 16.270 -2.425 -4.807 616 1HG GLU 84 2HG GLU 84 14.662 -4.289 -4.871 617 2HG GLU 84 1HG GLU 84 15.887 -5.287 -5.652 618 H ARG 85 H ARG 85 17.510 -2.243 -8.761 619 HA ARG 85 HA ARG 85 18.204 0.402 -7.878 620 1HB ARG 85 2HB ARG 85 18.527 -0.855 -10.625 621 2HB ARG 85 1HB ARG 85 19.315 0.612 -10.068 622 1HG ARG 85 2HG ARG 85 19.762 -2.141 -8.934 623 2HG ARG 85 1HG ARG 85 20.824 -1.313 -10.073 624 1HD ARG 85 2HD ARG 85 21.769 -1.013 -7.921 625 2HD ARG 85 1HD ARG 85 21.037 0.526 -8.370 626 HE ARG 85 HE ARG 85 19.190 -1.002 -6.892 627 1HH1 ARG 85 1HH1 ARG 85 22.159 0.786 -6.480 628 2HH1 ARG 85 2HH1 ARG 85 21.846 1.164 -4.820 629 1HH2 ARG 85 1HH2 ARG 85 18.776 -0.503 -4.709 630 2HH2 ARG 85 2HH2 ARG 85 19.927 0.433 -3.814 631 H ILE 86 H ILE 86 15.952 0.994 -7.511 632 HA ILE 86 HA ILE 86 13.907 0.955 -9.348 633 HB ILE 86 HB ILE 86 14.305 3.170 -7.324 634 1HG1 ILE 86 2HG1 ILE 86 12.623 1.400 -6.124 635 2HG1 ILE 86 1HG1 ILE 86 13.695 0.301 -6.983 636 1HG2 ILE 86 1HG2 ILE 86 11.884 3.293 -7.323 637 2HG2 ILE 86 2HG2 ILE 86 11.795 1.971 -8.487 638 3HG2 ILE 86 3HG2 ILE 86 12.504 3.515 -8.960 639 1HD1 ILE 86 1HD1 ILE 86 14.222 2.051 -4.677 640 2HD1 ILE 86 2HD1 ILE 86 15.515 1.916 -5.868 641 3HD1 ILE 86 3HD1 ILE 86 14.885 0.468 -5.081 Start of MODEL 13 1 H ARG 9 H ARG 9 -9.180 -15.746 -8.202 2 HA ARG 9 HA ARG 9 -7.399 -13.524 -8.317 3 1HB ARG 9 2HB ARG 9 -10.063 -13.950 -9.679 4 2HB ARG 9 1HB ARG 9 -8.908 -12.688 -10.080 5 1HG ARG 9 2HG ARG 9 -7.273 -14.393 -10.718 6 2HG ARG 9 1HG ARG 9 -8.446 -15.653 -10.330 7 1HD ARG 9 2HD ARG 9 -8.389 -15.211 -12.728 8 2HD ARG 9 1HD ARG 9 -9.954 -14.783 -12.040 9 HE ARG 9 HE ARG 9 -8.339 -12.500 -12.051 10 1HH1 ARG 9 1HH1 ARG 9 -9.926 -14.632 -14.311 11 2HH1 ARG 9 2HH1 ARG 9 -10.123 -13.408 -15.519 12 1HH2 ARG 9 1HH2 ARG 9 -8.598 -10.888 -13.638 13 2HH2 ARG 9 2HH2 ARG 9 -9.370 -11.283 -15.138 14 H HIS 10 H HIS 10 -7.427 -11.807 -7.041 15 HA HIS 10 HA HIS 10 -10.005 -10.712 -6.177 16 1HB HIS 10 2HB HIS 10 -9.185 -12.081 -4.314 17 2HB HIS 10 1HB HIS 10 -7.653 -11.212 -4.337 18 HD1 HIS 10 1HD HIS 10 -11.315 -10.170 -4.080 19 HD2 HIS 10 2HD HIS 10 -7.613 -9.377 -2.369 20 HE1 HIS 10 1HE HIS 10 -11.751 -8.440 -2.306 21 HE2 HIS 10 2HE HIS 10 -9.512 -8.048 -1.220 22 H GLU 11 H GLU 11 -9.853 -8.474 -5.430 23 HA GLU 11 HA GLU 11 -7.458 -7.058 -6.360 24 1HB GLU 11 2HB GLU 11 -8.856 -5.360 -7.460 25 2HB GLU 11 1HB GLU 11 -9.071 -6.948 -8.186 26 1HG GLU 11 2HG GLU 11 -11.151 -7.237 -6.944 27 2HG GLU 11 1HG GLU 11 -10.934 -5.649 -6.210 28 H LEU 12 H LEU 12 -6.903 -5.273 -5.187 29 HA LEU 12 HA LEU 12 -8.438 -4.836 -2.733 30 1HB LEU 12 2HB LEU 12 -5.630 -4.025 -3.488 31 2HB LEU 12 1HB LEU 12 -6.395 -3.642 -1.958 32 HG LEU 12 HG LEU 12 -6.586 -6.065 -1.475 33 1HD1 LEU 12 1HD1 LEU 12 -6.643 -7.140 -3.536 34 2HD1 LEU 12 2HD1 LEU 12 -5.034 -7.523 -2.918 35 3HD1 LEU 12 3HD1 LEU 12 -5.234 -6.266 -4.140 36 1HD2 LEU 12 1HD2 LEU 12 -4.466 -4.451 -1.120 37 2HD2 LEU 12 2HD2 LEU 12 -3.717 -5.736 -2.068 38 3HD2 LEU 12 3HD2 LEU 12 -4.530 -6.118 -0.549 39 H ILE 13 H ILE 13 -9.288 -3.754 -5.307 40 HA ILE 13 HA ILE 13 -8.722 -0.920 -5.205 41 HB ILE 13 HB ILE 13 -10.711 -2.418 -6.918 42 1HG1 ILE 13 2HG1 ILE 13 -8.415 -3.158 -7.332 43 2HG1 ILE 13 1HG1 ILE 13 -9.013 -2.213 -8.691 44 1HG2 ILE 13 1HG2 ILE 13 -9.588 0.360 -7.252 45 2HG2 ILE 13 2HG2 ILE 13 -11.202 -0.016 -6.649 46 3HG2 ILE 13 3HG2 ILE 13 -10.759 -0.436 -8.303 47 1HD1 ILE 13 1HD1 ILE 13 -6.982 -1.471 -6.630 48 2HD1 ILE 13 2HD1 ILE 13 -7.835 -0.233 -7.554 49 3HD1 ILE 13 3HD1 ILE 13 -6.854 -1.439 -8.389 50 H GLY 14 H GLY 14 -10.174 0.710 -4.667 51 1HA GLY 14 2HA GLY 14 -12.013 1.690 -3.677 52 2HA GLY 14 1HA GLY 14 -12.867 0.165 -3.866 53 H LEU 15 H LEU 15 -9.863 -0.072 -2.258 54 HA LEU 15 HA LEU 15 -11.271 -0.410 0.298 55 1HB LEU 15 2HB LEU 15 -8.545 -1.407 -0.532 56 2HB LEU 15 1HB LEU 15 -9.349 -1.758 0.984 57 HG LEU 15 HG LEU 15 -10.243 -2.660 -1.754 58 1HD1 LEU 15 1HD1 LEU 15 -8.234 -3.778 -0.731 59 2HD1 LEU 15 2HD1 LEU 15 -9.594 -4.838 -1.097 60 3HD1 LEU 15 3HD1 LEU 15 -9.298 -4.326 0.564 61 1HD2 LEU 15 1HD2 LEU 15 -11.530 -2.772 0.935 62 2HD2 LEU 15 2HD2 LEU 15 -11.780 -4.095 -0.203 63 3HD2 LEU 15 3HD2 LEU 15 -12.249 -2.452 -0.645 64 H SER 16 H SER 16 -9.950 0.157 2.274 65 HA SER 16 HA SER 16 -8.640 2.752 1.803 66 1HB SER 16 2HB SER 16 -9.142 3.233 4.173 67 2HB SER 16 1HB SER 16 -10.604 2.833 3.275 68 HG SER 16 HG SER 16 -10.817 1.035 4.386 69 H VAL 17 H VAL 17 -6.641 3.234 2.788 70 HA VAL 17 HA VAL 17 -5.279 1.088 4.208 71 HB VAL 17 HB VAL 17 -4.753 0.581 1.907 72 1HG1 VAL 17 1HG1 VAL 17 -5.165 2.613 0.776 73 2HG1 VAL 17 2HG1 VAL 17 -3.448 2.271 0.557 74 3HG1 VAL 17 3HG1 VAL 17 -3.962 3.477 1.737 75 1HG2 VAL 17 1HG2 VAL 17 -2.153 1.633 2.297 76 2HG2 VAL 17 2HG2 VAL 17 -2.735 0.002 2.625 77 3HG2 VAL 17 3HG2 VAL 17 -2.809 1.234 3.883 78 H ARG 18 H ARG 18 -3.994 1.830 5.770 79 HA ARG 18 HA ARG 18 -3.299 4.690 5.738 80 1HB ARG 18 2HB ARG 18 -3.357 4.615 8.196 81 2HB ARG 18 1HB ARG 18 -4.911 4.192 7.489 82 1HG ARG 18 2HG ARG 18 -4.430 1.821 7.858 83 2HG ARG 18 1HG ARG 18 -2.878 2.254 8.580 84 1HD ARG 18 2HD ARG 18 -4.047 3.514 10.324 85 2HD ARG 18 1HD ARG 18 -5.594 3.077 9.602 86 HE ARG 18 HE ARG 18 -4.173 0.728 10.145 87 1HH1 ARG 18 1HH1 ARG 18 -5.732 3.341 11.853 88 2HH1 ARG 18 2HH1 ARG 18 -6.110 2.377 13.239 89 1HH2 ARG 18 1HH2 ARG 18 -4.672 -0.544 11.969 90 2HH2 ARG 18 2HH2 ARG 18 -5.508 0.171 13.306 91 H ILE 19 H ILE 19 -1.211 5.129 5.608 92 HA ILE 19 HA ILE 19 0.750 3.026 5.840 93 HB ILE 19 HB ILE 19 1.176 5.974 5.336 94 1HG1 ILE 19 2HG1 ILE 19 -0.265 4.985 3.623 95 2HG1 ILE 19 1HG1 ILE 19 1.328 5.349 2.962 96 1HG2 ILE 19 1HG2 ILE 19 3.228 4.696 4.122 97 2HG2 ILE 19 2HG2 ILE 19 2.968 3.649 5.518 98 3HG2 ILE 19 3HG2 ILE 19 3.303 5.366 5.752 99 1HD1 ILE 19 1HD1 ILE 19 0.175 2.664 3.669 100 2HD1 ILE 19 2HD1 ILE 19 1.902 2.909 3.404 101 3HD1 ILE 19 3HD1 ILE 19 0.756 3.233 2.102 102 H ALA 20 H ALA 20 1.710 2.471 7.680 103 HA ALA 20 HA ALA 20 1.563 4.194 9.995 104 1HB ALA 20 1HB ALA 20 2.122 1.363 9.494 105 2HB ALA 20 2HB ALA 20 1.308 2.135 10.855 106 3HB ALA 20 3HB ALA 20 3.070 2.077 10.800 107 H ARG 21 H ARG 21 3.944 3.067 7.729 108 HA ARG 21 HA ARG 21 5.742 5.169 8.467 109 1HB ARG 21 2HB ARG 21 6.390 3.463 10.084 110 2HB ARG 21 1HB ARG 21 6.576 2.289 8.791 111 1HG ARG 21 2HG ARG 21 8.373 3.714 7.838 112 2HG ARG 21 1HG ARG 21 8.241 4.743 9.266 113 1HD ARG 21 2HD ARG 21 8.851 1.792 9.306 114 2HD ARG 21 1HD ARG 21 10.060 3.069 9.443 115 HE ARG 21 HE ARG 21 8.434 2.057 11.521 116 1HH1 ARG 21 1HH1 ARG 21 9.806 5.039 10.329 117 2HH1 ARG 21 2HH1 ARG 21 9.777 5.814 11.876 118 1HH2 ARG 21 1HH2 ARG 21 8.403 3.075 13.555 119 2HH2 ARG 21 2HH2 ARG 21 8.984 4.700 13.709 120 H SER 22 H SER 22 7.304 5.583 6.897 121 HA SER 22 HA SER 22 7.265 3.920 4.488 122 1HB SER 22 2HB SER 22 6.787 6.908 4.495 123 2HB SER 22 1HB SER 22 7.009 5.916 3.053 124 HG SER 22 HG SER 22 4.759 6.433 4.016 125 H VAL 23 H VAL 23 9.005 4.544 2.934 126 HA VAL 23 HA VAL 23 11.488 4.685 4.258 127 HB VAL 23 HB VAL 23 11.313 3.560 2.126 128 1HG1 VAL 23 1HG1 VAL 23 9.729 5.656 1.355 129 2HG1 VAL 23 2HG1 VAL 23 10.358 4.401 0.287 130 3HG1 VAL 23 3HG1 VAL 23 11.210 5.936 0.439 131 1HG2 VAL 23 1HG2 VAL 23 13.253 4.529 0.972 132 2HG2 VAL 23 2HG2 VAL 23 13.494 4.467 2.718 133 3HG2 VAL 23 3HG2 VAL 23 13.087 5.996 1.937 134 H HIS 24 H HIS 24 9.517 7.137 2.650 135 HA HIS 24 HA HIS 24 11.566 9.161 3.142 136 1HB HIS 24 2HB HIS 24 8.871 9.417 1.789 137 2HB HIS 24 1HB HIS 24 10.056 10.706 1.939 138 HD1 HIS 24 1HD HIS 24 9.664 7.313 0.306 139 HD2 HIS 24 2HD HIS 24 11.891 10.798 -0.073 140 HE1 HIS 24 1HE HIS 24 10.995 7.030 -1.808 141 HE2 HIS 24 2HE HIS 24 12.416 9.106 -1.958 142 H ARG 25 H ARG 25 11.418 10.727 4.662 143 HA ARG 25 HA ARG 25 9.625 10.300 6.849 144 1HB ARG 25 2HB ARG 25 11.565 12.565 6.361 145 2HB ARG 25 1HB ARG 25 10.794 12.179 7.892 146 1HG ARG 25 2HG ARG 25 12.658 10.335 6.416 147 2HG ARG 25 1HG ARG 25 13.143 11.415 7.724 148 1HD ARG 25 2HD ARG 25 11.089 9.215 7.936 149 2HD ARG 25 1HD ARG 25 12.754 9.119 8.509 150 HE ARG 25 HE ARG 25 11.477 11.359 9.650 151 1HH1 ARG 25 1HH1 ARG 25 11.516 7.874 9.833 152 2HH1 ARG 25 2HH1 ARG 25 10.992 7.830 11.482 153 1HH2 ARG 25 1HH2 ARG 25 10.785 11.302 11.820 154 2HH2 ARG 25 2HH2 ARG 25 10.576 9.775 12.610 155 H ASP 26 H ASP 26 9.126 11.854 3.955 156 HA ASP 26 HA ASP 26 7.477 13.947 5.102 157 1HB ASP 26 2HB ASP 26 7.343 14.843 2.808 158 2HB ASP 26 1HB ASP 26 9.006 14.665 3.361 159 H ILE 27 H ILE 27 7.190 10.885 3.597 160 HA ILE 27 HA ILE 27 4.373 11.337 3.021 161 HB ILE 27 HB ILE 27 4.401 9.282 1.741 162 1HG1 ILE 27 2HG1 ILE 27 7.275 9.061 2.661 163 2HG1 ILE 27 1HG1 ILE 27 5.948 7.993 3.095 164 1HG2 ILE 27 1HG2 ILE 27 6.242 11.496 1.192 165 2HG2 ILE 27 2HG2 ILE 27 4.974 10.795 0.187 166 3HG2 ILE 27 3HG2 ILE 27 6.560 10.029 0.265 167 1HD1 ILE 27 1HD1 ILE 27 7.047 8.343 0.315 168 2HD1 ILE 27 2HD1 ILE 27 5.777 7.221 0.807 169 3HD1 ILE 27 3HD1 ILE 27 7.422 7.009 1.407 170 H GLN 28 H GLN 28 6.468 9.713 5.205 171 HA GLN 28 HA GLN 28 5.058 7.547 6.087 172 1HB GLN 28 2HB GLN 28 6.093 7.894 8.287 173 2HB GLN 28 1HB GLN 28 7.243 8.139 6.978 174 1HG GLN 28 2HG GLN 28 7.030 10.539 7.203 175 2HG GLN 28 1HG GLN 28 5.809 10.334 8.454 176 1HE2 GLN 28 1HE2 GLN 28 7.952 7.901 8.963 177 2HE2 GLN 28 2HE2 GLN 28 9.002 8.672 10.091 178 H GLY 29 H GLY 29 3.429 7.126 7.553 179 1HA GLY 29 2HA GLY 29 1.550 7.503 8.824 180 2HA GLY 29 1HA GLY 29 2.118 9.146 9.071 181 H ILE 30 H ILE 30 1.792 8.150 5.798 182 HA ILE 30 HA ILE 30 -0.396 10.004 5.467 183 HB ILE 30 HB ILE 30 1.472 10.131 3.901 184 1HG1 ILE 30 2HG1 ILE 30 -1.088 9.175 2.601 185 2HG1 ILE 30 1HG1 ILE 30 -0.760 10.819 3.140 186 1HG2 ILE 30 1HG2 ILE 30 0.772 7.700 2.424 187 2HG2 ILE 30 2HG2 ILE 30 1.513 7.413 3.997 188 3HG2 ILE 30 3HG2 ILE 30 2.353 8.391 2.794 189 1HD1 ILE 30 1HD1 ILE 30 -0.497 10.624 0.733 190 2HD1 ILE 30 2HD1 ILE 30 0.701 9.347 0.953 191 3HD1 ILE 30 3HD1 ILE 30 1.051 10.988 1.498 192 H SER 31 H SER 31 -2.339 9.172 5.974 193 HA SER 31 HA SER 31 -3.002 6.448 5.156 194 1HB SER 31 2HB SER 31 -3.575 7.097 7.451 195 2HB SER 31 1HB SER 31 -4.554 8.430 6.840 196 HG SER 31 HG SER 31 -5.028 5.717 6.174 197 H GLY 32 H GLY 32 -4.872 5.974 3.864 198 1HA GLY 32 2HA GLY 32 -6.572 7.898 2.762 199 2HA GLY 32 1HA GLY 32 -5.196 7.740 1.684 200 H ARG 33 H ARG 33 -6.797 7.058 0.141 201 HA ARG 33 HA ARG 33 -7.825 4.363 0.558 202 1HB ARG 33 2HB ARG 33 -8.564 6.521 -1.370 203 2HB ARG 33 1HB ARG 33 -9.104 4.862 -1.582 204 1HG ARG 33 2HG ARG 33 -10.786 6.225 -0.463 205 2HG ARG 33 1HG ARG 33 -10.214 4.898 0.547 206 1HD ARG 33 2HD ARG 33 -8.855 6.371 1.843 207 2HD ARG 33 1HD ARG 33 -9.147 7.710 0.736 208 HE ARG 33 HE ARG 33 -11.040 8.160 1.908 209 1HH1 ARG 33 1HH1 ARG 33 -10.221 4.810 2.450 210 2HH1 ARG 33 2HH1 ARG 33 -11.549 4.533 3.527 211 1HH2 ARG 33 1HH2 ARG 33 -12.781 7.794 3.326 212 2HH2 ARG 33 2HH2 ARG 33 -13.000 6.226 4.026 213 H VAL 34 H VAL 34 -7.903 3.032 -1.534 214 HA VAL 34 HA VAL 34 -5.111 2.800 -2.406 215 HB VAL 34 HB VAL 34 -7.290 0.724 -2.543 216 1HG1 VAL 34 1HG1 VAL 34 -4.359 0.683 -3.172 217 2HG1 VAL 34 2HG1 VAL 34 -5.713 0.095 -4.139 218 3HG1 VAL 34 3HG1 VAL 34 -5.214 -0.786 -2.696 219 1HG2 VAL 34 1HG2 VAL 34 -5.006 0.834 -0.591 220 2HG2 VAL 34 2HG2 VAL 34 -6.425 -0.215 -0.558 221 3HG2 VAL 34 3HG2 VAL 34 -6.595 1.511 -0.237 222 H VAL 35 H VAL 35 -4.516 2.147 -4.547 223 HA VAL 35 HA VAL 35 -6.547 2.552 -6.616 224 HB VAL 35 HB VAL 35 -3.970 3.429 -7.568 225 1HG1 VAL 35 1HG1 VAL 35 -6.793 4.214 -7.805 226 2HG1 VAL 35 2HG1 VAL 35 -5.579 3.924 -9.048 227 3HG1 VAL 35 3HG1 VAL 35 -5.584 5.447 -8.159 228 1HG2 VAL 35 1HG2 VAL 35 -5.049 5.659 -6.070 229 2HG2 VAL 35 2HG2 VAL 35 -3.396 5.130 -6.258 230 3HG2 VAL 35 3HG2 VAL 35 -4.425 4.378 -5.050 231 H ASP 36 H ASP 36 -3.190 1.633 -5.955 232 HA ASP 36 HA ASP 36 -3.532 -0.908 -7.236 233 1HB ASP 36 2HB ASP 36 -1.659 1.120 -8.469 234 2HB ASP 36 1HB ASP 36 -1.716 -0.586 -8.895 235 H GLU 37 H GLU 37 -1.453 -2.177 -7.225 236 HA GLU 37 HA GLU 37 0.347 -1.327 -5.056 237 1HB GLU 37 2HB GLU 37 -0.809 -4.098 -5.447 238 2HB GLU 37 1HB GLU 37 0.441 -3.685 -4.283 239 1HG GLU 37 2HG GLU 37 -1.667 -3.830 -3.159 240 2HG GLU 37 1HG GLU 37 -1.142 -2.148 -3.180 241 H THR 38 H THR 38 2.395 -1.209 -5.819 242 HA THR 38 HA THR 38 3.153 -3.082 -7.963 243 HB THR 38 HB THR 38 4.004 -0.209 -7.621 244 HG1 THR 38 1HG THR 38 1.909 -0.519 -8.509 245 1HG2 THR 38 1HG2 THR 38 4.893 -2.301 -9.566 246 2HG2 THR 38 2HG2 THR 38 5.874 -1.212 -8.584 247 3HG2 THR 38 3HG2 THR 38 4.955 -0.581 -9.952 248 H ARG 39 H ARG 39 5.417 -3.595 -8.104 249 HA ARG 39 HA ARG 39 6.548 -4.646 -5.871 250 1HB ARG 39 2HB ARG 39 7.299 -5.105 -8.163 251 2HB ARG 39 1HB ARG 39 8.019 -3.507 -8.254 252 1HG ARG 39 2HG ARG 39 8.870 -5.544 -6.219 253 2HG ARG 39 1HG ARG 39 9.580 -5.451 -7.828 254 1HD ARG 39 2HD ARG 39 10.070 -3.011 -7.303 255 2HD ARG 39 1HD ARG 39 9.657 -3.394 -5.635 256 HE ARG 39 HE ARG 39 11.723 -4.299 -5.417 257 1HH1 ARG 39 1HH1 ARG 39 10.867 -4.397 -8.800 258 2HH1 ARG 39 2HH1 ARG 39 12.374 -5.090 -9.289 259 1HH2 ARG 39 1HH2 ARG 39 13.712 -5.198 -6.062 260 2HH2 ARG 39 2HH2 ARG 39 13.992 -5.544 -7.737 261 H ASN 40 H ASN 40 7.376 -1.446 -7.230 262 HA ASN 40 HA ASN 40 8.495 -0.776 -4.591 263 1HB ASN 40 2HB ASN 40 10.079 0.722 -5.714 264 2HB ASN 40 1HB ASN 40 10.268 -0.945 -6.233 265 1HD2 ASN 40 1HD2 ASN 40 7.506 0.252 -7.696 266 2HD2 ASN 40 2HD2 ASN 40 8.204 0.748 -9.187 267 H THR 41 H THR 41 5.713 -0.308 -5.651 268 HA THR 41 HA THR 41 5.560 2.406 -4.721 269 HB THR 41 HB THR 41 4.193 3.117 -6.773 270 HG1 THR 41 1HG THR 41 5.756 1.109 -8.006 271 1HG2 THR 41 1HG2 THR 41 7.120 2.753 -7.302 272 2HG2 THR 41 2HG2 THR 41 6.477 3.954 -6.181 273 3HG2 THR 41 3HG2 THR 41 6.048 4.025 -7.891 274 H LEU 42 H LEU 42 3.453 3.104 -4.252 275 HA LEU 42 HA LEU 42 1.367 1.042 -4.377 276 1HB LEU 42 2HB LEU 42 2.535 0.908 -2.203 277 2HB LEU 42 1HB LEU 42 2.114 2.574 -1.885 278 HG LEU 42 HG LEU 42 0.685 0.973 -0.673 279 1HD1 LEU 42 1HD1 LEU 42 -0.085 3.272 -1.615 280 2HD1 LEU 42 2HD1 LEU 42 -1.285 2.155 -0.965 281 3HD1 LEU 42 3HD1 LEU 42 -1.067 2.297 -2.709 282 1HD2 LEU 42 1HD2 LEU 42 -1.004 -0.307 -1.974 283 2HD2 LEU 42 2HD2 LEU 42 0.650 -0.863 -2.229 284 3HD2 LEU 42 3HD2 LEU 42 -0.144 0.129 -3.450 285 H ARG 43 H ARG 43 -0.103 2.013 -5.604 286 HA ARG 43 HA ARG 43 -0.543 4.843 -5.530 287 1HB ARG 43 2HB ARG 43 -1.837 2.560 -6.997 288 2HB ARG 43 1HB ARG 43 -2.499 4.176 -7.057 289 1HG ARG 43 2HG ARG 43 -1.128 3.742 -8.978 290 2HG ARG 43 1HG ARG 43 -0.449 5.030 -7.986 291 1HD ARG 43 2HD ARG 43 1.146 3.467 -7.010 292 2HD ARG 43 1HD ARG 43 0.443 2.143 -7.939 293 HE ARG 43 HE ARG 43 2.386 3.987 -8.839 294 1HH1 ARG 43 1HH1 ARG 43 -0.429 2.230 -9.922 295 2HH1 ARG 43 2HH1 ARG 43 0.038 2.264 -11.589 296 1HH2 ARG 43 1HH2 ARG 43 3.003 4.026 -11.028 297 2HH2 ARG 43 2HH2 ARG 43 1.988 3.281 -12.217 298 H ILE 44 H ILE 44 -1.929 5.943 -4.342 299 HA ILE 44 HA ILE 44 -3.898 4.492 -2.695 300 HB ILE 44 HB ILE 44 -2.403 7.074 -2.184 301 1HG1 ILE 44 2HG1 ILE 44 -2.371 4.414 -0.753 302 2HG1 ILE 44 1HG1 ILE 44 -1.098 5.055 -1.788 303 1HG2 ILE 44 1HG2 ILE 44 -4.893 6.879 -1.350 304 2HG2 ILE 44 2HG2 ILE 44 -3.632 7.601 -0.358 305 3HG2 ILE 44 3HG2 ILE 44 -4.133 5.938 -0.066 306 1HD1 ILE 44 1HD1 ILE 44 -1.930 5.956 0.940 307 2HD1 ILE 44 2HD1 ILE 44 -0.999 7.001 -0.133 308 3HD1 ILE 44 3HD1 ILE 44 -0.340 5.445 0.372 309 H GLU 45 H GLU 45 -5.846 4.654 -3.765 310 HA GLU 45 HA GLU 45 -6.694 7.367 -4.477 311 1HB GLU 45 2HB GLU 45 -6.302 6.241 -6.559 312 2HB GLU 45 1HB GLU 45 -7.207 4.828 -6.028 313 1HG GLU 45 2HG GLU 45 -9.254 6.198 -5.980 314 2HG GLU 45 1HG GLU 45 -8.324 7.574 -6.570 315 H MET 46 H MET 46 -8.705 7.950 -4.112 316 HA MET 46 HA MET 46 -10.424 6.161 -2.526 317 1HB MET 46 2HB MET 46 -11.270 8.250 -1.432 318 2HB MET 46 1HB MET 46 -9.592 7.892 -1.080 319 1HG MET 46 2HG MET 46 -9.348 9.499 -3.251 320 2HG MET 46 1HG MET 46 -10.777 10.166 -2.466 321 1HE MET 46 1HE MET 46 -6.804 9.570 -2.054 322 2HE MET 46 2HE MET 46 -7.672 8.347 -1.121 323 3HE MET 46 3HE MET 46 -6.755 9.602 -0.289 324 H ASP 47 H ASP 47 -12.552 6.070 -3.004 325 HA ASP 47 HA ASP 47 -13.492 6.260 -5.519 326 1HB ASP 47 2HB ASP 47 -15.111 6.708 -3.010 327 2HB ASP 47 1HB ASP 47 -15.777 6.281 -4.583 328 H ASP 48 H ASP 48 -13.174 8.924 -3.325 329 HA ASP 48 HA ASP 48 -14.923 10.750 -4.529 330 1HB ASP 48 2HB ASP 48 -13.830 11.159 -2.361 331 2HB ASP 48 1HB ASP 48 -12.273 11.297 -3.168 332 H GLY 49 H GLY 49 -12.042 9.348 -5.675 333 1HA GLY 49 2HA GLY 49 -11.408 9.493 -7.956 334 2HA GLY 49 1HA GLY 49 -12.080 11.118 -8.011 335 H ARG 50 H ARG 50 -10.233 10.334 -5.250 336 HA ARG 50 HA ARG 50 -8.033 12.009 -6.281 337 1HB ARG 50 2HB ARG 50 -8.859 11.443 -3.441 338 2HB ARG 50 1HB ARG 50 -7.475 12.418 -3.901 339 1HG ARG 50 2HG ARG 50 -10.325 13.053 -4.637 340 2HG ARG 50 1HG ARG 50 -9.476 13.727 -3.247 341 1HD ARG 50 2HD ARG 50 -9.314 15.348 -4.952 342 2HD ARG 50 1HD ARG 50 -7.737 14.567 -4.878 343 HE ARG 50 HE ARG 50 -9.333 13.276 -6.800 344 1HH1 ARG 50 1HH1 ARG 50 -7.651 16.287 -6.282 345 2HH1 ARG 50 2HH1 ARG 50 -7.395 16.577 -7.969 346 1HH2 ARG 50 1HH2 ARG 50 -8.996 13.653 -9.020 347 2HH2 ARG 50 2HH2 ARG 50 -8.158 15.083 -9.525 348 H GLU 51 H GLU 51 -6.286 10.948 -6.910 349 HA GLU 51 HA GLU 51 -5.567 8.483 -5.473 350 1HB GLU 51 2HB GLU 51 -4.549 7.684 -7.527 351 2HB GLU 51 1HB GLU 51 -6.224 8.128 -7.821 352 1HG GLU 51 2HG GLU 51 -5.502 10.243 -8.795 353 2HG GLU 51 1HG GLU 51 -3.820 9.807 -8.498 354 H ILE 52 H ILE 52 -3.363 8.102 -5.017 355 HA ILE 52 HA ILE 52 -1.359 10.071 -5.674 356 HB ILE 52 HB ILE 52 -2.450 11.161 -3.775 357 1HG1 ILE 52 2HG1 ILE 52 -0.453 11.465 -2.359 358 2HG1 ILE 52 1HG1 ILE 52 0.272 10.030 -3.084 359 1HG2 ILE 52 1HG2 ILE 52 -3.182 8.936 -2.763 360 2HG2 ILE 52 2HG2 ILE 52 -2.678 10.210 -1.651 361 3HG2 ILE 52 3HG2 ILE 52 -1.579 8.884 -2.030 362 1HD1 ILE 52 1HD1 ILE 52 1.187 12.067 -4.067 363 2HD1 ILE 52 2HD1 ILE 52 -0.435 12.581 -4.538 364 3HD1 ILE 52 3HD1 ILE 52 0.283 11.145 -5.269 365 H THR 53 H THR 53 0.474 8.988 -6.013 366 HA THR 53 HA THR 53 0.750 6.246 -5.297 367 HB THR 53 HB THR 53 1.698 7.094 -7.365 368 HG1 THR 53 1HG THR 53 3.434 5.872 -7.241 369 1HG2 THR 53 1HG2 THR 53 4.065 8.353 -6.364 370 2HG2 THR 53 2HG2 THR 53 2.630 9.229 -5.826 371 3HG2 THR 53 3HG2 THR 53 2.894 8.940 -7.546 372 H VAL 54 H VAL 54 2.397 5.270 -4.028 373 HA VAL 54 HA VAL 54 3.898 6.909 -2.165 374 HB VAL 54 HB VAL 54 1.873 4.909 -1.145 375 1HG1 VAL 54 1HG1 VAL 54 3.786 6.693 0.365 376 2HG1 VAL 54 2HG1 VAL 54 3.943 4.948 0.172 377 3HG1 VAL 54 3HG1 VAL 54 2.587 5.616 1.081 378 1HG2 VAL 54 1HG2 VAL 54 0.627 6.809 -1.693 379 2HG2 VAL 54 2HG2 VAL 54 1.918 7.910 -1.210 380 3HG2 VAL 54 3HG2 VAL 54 1.001 7.036 0.016 381 HA PRO 55 HA PRO 55 6.692 3.552 -3.269 382 1HB PRO 55 2HB PRO 55 8.242 4.756 -1.029 383 2HB PRO 55 1HB PRO 55 8.755 4.373 -2.677 384 1HG PRO 55 2HG PRO 55 8.300 6.888 -1.966 385 2HG PRO 55 1HG PRO 55 7.793 6.297 -3.561 386 1HD PRO 55 2HD PRO 55 6.149 6.784 -1.108 387 2HD PRO 55 1HD PRO 55 5.761 7.113 -2.809 388 H LYS 56 H LYS 56 6.467 1.519 -2.613 389 HA LYS 56 HA LYS 56 5.896 0.956 0.203 390 1HB LYS 56 2HB LYS 56 5.110 -0.257 -2.337 391 2HB LYS 56 1HB LYS 56 5.599 -1.432 -1.123 392 1HG LYS 56 2HG LYS 56 3.982 -0.523 0.436 393 2HG LYS 56 1HG LYS 56 3.512 0.698 -0.745 394 1HD LYS 56 2HD LYS 56 1.922 -1.153 -0.734 395 2HD LYS 56 1HD LYS 56 2.777 -1.076 -2.275 396 1HE LYS 56 2HE LYS 56 4.284 -2.854 -1.518 397 2HE LYS 56 1HE LYS 56 3.418 -2.934 0.015 398 1HZ LYS 56 1HZ LYS 56 2.506 -3.754 -2.666 399 2HZ LYS 56 2HZ LYS 56 1.382 -3.371 -1.463 400 3HZ LYS 56 3HZ LYS 56 2.482 -4.631 -1.218 401 H GLY 57 H GLY 57 8.583 1.023 -1.735 402 1HA GLY 57 2HA GLY 57 9.906 -1.364 -1.411 403 2HA GLY 57 1HA GLY 57 10.712 0.197 -1.386 404 H ILE 58 H ILE 58 9.243 1.042 1.017 405 HA ILE 58 HA ILE 58 9.955 -0.788 3.097 406 HB ILE 58 HB ILE 58 11.342 1.895 3.061 407 1HG1 ILE 58 2HG1 ILE 58 13.448 0.388 2.983 408 2HG1 ILE 58 1HG1 ILE 58 12.363 -0.854 2.364 409 1HG2 ILE 58 1HG2 ILE 58 12.326 1.308 5.099 410 2HG2 ILE 58 2HG2 ILE 58 11.888 -0.391 4.926 411 3HG2 ILE 58 3HG2 ILE 58 10.643 0.810 5.262 412 1HD1 ILE 58 1HD1 ILE 58 13.590 1.356 1.005 413 2HD1 ILE 58 2HD1 ILE 58 11.836 1.412 0.830 414 3HD1 ILE 58 3HD1 ILE 58 12.725 -0.032 0.345 415 H ALA 59 H ALA 59 7.507 -0.268 2.832 416 HA ALA 59 HA ALA 59 6.915 1.830 4.778 417 1HB ALA 59 1HB ALA 59 5.006 1.640 2.538 418 2HB ALA 59 2HB ALA 59 6.569 2.389 2.202 419 3HB ALA 59 3HB ALA 59 5.532 3.043 3.471 420 H VAL 60 H VAL 60 5.947 0.874 6.443 421 HA VAL 60 HA VAL 60 4.314 -1.492 6.098 422 HB VAL 60 HB VAL 60 5.745 -1.303 8.084 423 1HG1 VAL 60 1HG1 VAL 60 4.041 0.607 9.493 424 2HG1 VAL 60 2HG1 VAL 60 4.949 1.315 8.157 425 3HG1 VAL 60 3HG1 VAL 60 5.798 0.469 9.451 426 1HG2 VAL 60 1HG2 VAL 60 3.646 -2.630 8.134 427 2HG2 VAL 60 2HG2 VAL 60 2.822 -1.238 8.836 428 3HG2 VAL 60 3HG2 VAL 60 4.131 -2.027 9.718 429 H PHE 61 H PHE 61 2.104 -1.609 6.198 430 HA PHE 61 HA PHE 61 0.557 0.687 7.027 431 1HB PHE 61 2HB PHE 61 -0.608 0.967 4.891 432 2HB PHE 61 1HB PHE 61 1.118 1.274 4.713 433 HD1 PHE 61 1HD PHE 61 2.272 0.256 3.002 434 HD2 PHE 61 2HD PHE 61 -1.390 -1.456 4.328 435 HE1 PHE 61 1HE PHE 61 2.378 -1.382 1.173 436 HE2 PHE 61 2HE PHE 61 -1.289 -3.099 2.500 437 HZ PHE 61 HZ PHE 61 0.598 -3.064 0.919 438 H HIS 62 H HIS 62 -1.813 0.281 6.744 439 HA HIS 62 HA HIS 62 -2.516 -2.567 6.768 440 1HB HIS 62 2HB HIS 62 -3.522 -0.619 8.850 441 2HB HIS 62 1HB HIS 62 -3.767 -2.362 8.807 442 HD1 HIS 62 1HD HIS 62 -1.098 -3.555 8.661 443 HD2 HIS 62 2HD HIS 62 -1.770 -0.067 10.811 444 HE1 HIS 62 1HE HIS 62 0.779 -3.422 10.327 445 HE2 HIS 62 2HE HIS 62 0.299 -1.350 11.678 446 H PHE 63 H PHE 63 -4.311 -2.931 5.539 447 HA PHE 63 HA PHE 63 -5.939 -0.567 4.881 448 1HB PHE 63 2HB PHE 63 -6.406 -1.546 2.713 449 2HB PHE 63 1HB PHE 63 -4.671 -1.439 2.963 450 HD1 PHE 63 1HD PHE 63 -7.479 -3.862 3.390 451 HD2 PHE 63 2HD PHE 63 -3.380 -3.248 2.420 452 HE1 PHE 63 1HE PHE 63 -7.264 -6.242 2.811 453 HE2 PHE 63 2HE PHE 63 -3.157 -5.626 1.840 454 HZ PHE 63 HZ PHE 63 -5.100 -7.128 2.034 455 H ARG 64 H ARG 64 -8.082 -0.605 5.036 456 HA ARG 64 HA ARG 64 -9.281 -2.950 6.329 457 1HB ARG 64 2HB ARG 64 -9.471 -0.853 7.559 458 2HB ARG 64 1HB ARG 64 -10.192 -0.067 6.164 459 1HG ARG 64 2HG ARG 64 -12.004 -0.512 7.535 460 2HG ARG 64 1HG ARG 64 -12.039 -1.838 6.375 461 1HD ARG 64 2HD ARG 64 -12.418 -2.727 8.571 462 2HD ARG 64 1HD ARG 64 -10.823 -3.240 8.023 463 HE ARG 64 HE ARG 64 -10.441 -0.908 9.455 464 1HH1 ARG 64 1HH1 ARG 64 -11.697 -4.104 10.083 465 2HH1 ARG 64 2HH1 ARG 64 -11.210 -4.107 11.743 466 1HH2 ARG 64 1HH2 ARG 64 -9.797 -0.911 11.641 467 2HH2 ARG 64 2HH2 ARG 64 -10.131 -2.294 12.628 468 H THR 65 H THR 65 -11.256 -3.794 5.615 469 HA THR 65 HA THR 65 -11.993 -3.082 2.856 470 HB THR 65 HB THR 65 -12.153 -5.779 4.218 471 HG1 THR 65 1HG THR 65 -10.201 -5.940 3.506 472 1HG2 THR 65 1HG2 THR 65 -13.773 -4.949 2.188 473 2HG2 THR 65 2HG2 THR 65 -13.323 -6.621 2.523 474 3HG2 THR 65 3HG2 THR 65 -12.429 -5.691 1.320 475 HA PRO 66 HA PRO 66 -15.943 -1.703 4.322 476 1HB PRO 66 2HB PRO 66 -17.372 -2.801 2.137 477 2HB PRO 66 1HB PRO 66 -16.777 -1.148 2.300 478 1HG PRO 66 2HG PRO 66 -15.585 -3.457 0.863 479 2HG PRO 66 1HG PRO 66 -15.495 -1.727 0.488 480 1HD PRO 66 2HD PRO 66 -13.404 -3.038 1.520 481 2HD PRO 66 1HD PRO 66 -13.768 -1.366 2.001 482 H GLN 67 H GLN 67 -15.473 -5.022 3.230 483 HA GLN 67 HA GLN 67 -17.865 -6.104 4.220 484 1HB GLN 67 2HB GLN 67 -15.148 -7.323 3.757 485 2HB GLN 67 1HB GLN 67 -16.516 -8.268 4.324 486 1HG GLN 67 2HG GLN 67 -16.259 -8.526 1.945 487 2HG GLN 67 1HG GLN 67 -17.757 -7.670 2.297 488 1HE2 GLN 67 1HE2 GLN 67 -15.037 -7.717 0.413 489 2HE2 GLN 67 2HE2 GLN 67 -15.069 -6.089 -0.163 490 H GLY 68 H GLY 68 -15.134 -4.877 5.852 491 1HA GLY 68 2HA GLY 68 -15.231 -4.439 8.199 492 2HA GLY 68 1HA GLY 68 -16.214 -5.883 8.392 493 H GLU 69 H GLU 69 -13.223 -5.596 6.539 494 HA GLU 69 HA GLU 69 -11.928 -7.362 8.519 495 1HB GLU 69 2HB GLU 69 -11.699 -7.539 5.511 496 2HB GLU 69 1HB GLU 69 -10.794 -8.515 6.660 497 1HG GLU 69 2HG GLU 69 -12.875 -9.492 7.476 498 2HG GLU 69 1HG GLU 69 -13.786 -8.509 6.330 499 H LEU 70 H LEU 70 -9.759 -7.052 8.914 500 HA LEU 70 HA LEU 70 -8.523 -4.716 7.608 501 1HB LEU 70 2HB LEU 70 -9.213 -4.148 9.879 502 2HB LEU 70 1HB LEU 70 -8.334 -5.525 10.511 503 HG LEU 70 HG LEU 70 -6.215 -4.507 9.777 504 1HD1 LEU 70 1HD1 LEU 70 -7.932 -2.149 9.002 505 2HD1 LEU 70 2HD1 LEU 70 -7.099 -3.226 7.881 506 3HD1 LEU 70 3HD1 LEU 70 -6.170 -2.208 8.980 507 1HD2 LEU 70 1HD2 LEU 70 -7.954 -2.739 11.497 508 2HD2 LEU 70 2HD2 LEU 70 -6.194 -2.657 11.408 509 3HD2 LEU 70 3HD2 LEU 70 -6.979 -4.104 12.042 510 H VAL 71 H VAL 71 -6.664 -5.141 6.629 511 HA VAL 71 HA VAL 71 -5.175 -7.551 7.458 512 HB VAL 71 HB VAL 71 -5.217 -6.312 4.709 513 1HG1 VAL 71 1HG1 VAL 71 -3.793 -8.635 5.919 514 2HG1 VAL 71 2HG1 VAL 71 -3.197 -7.406 4.804 515 3HG1 VAL 71 3HG1 VAL 71 -4.254 -8.690 4.219 516 1HG2 VAL 71 1HG2 VAL 71 -6.401 -8.979 5.303 517 2HG2 VAL 71 2HG2 VAL 71 -6.791 -7.833 4.021 518 3HG2 VAL 71 3HG2 VAL 71 -7.337 -7.531 5.670 519 H GLU 72 H GLU 72 -2.867 -7.478 7.267 520 HA GLU 72 HA GLU 72 -1.762 -4.752 7.304 521 1HB GLU 72 2HB GLU 72 -0.301 -5.316 9.114 522 2HB GLU 72 1HB GLU 72 -1.932 -5.755 9.589 523 1HG GLU 72 2HG GLU 72 0.124 -7.688 8.540 524 2HG GLU 72 1HG GLU 72 -0.209 -7.401 10.245 525 H ILE 73 H ILE 73 0.169 -4.416 6.315 526 HA ILE 73 HA ILE 73 1.688 -6.679 5.283 527 HB ILE 73 HB ILE 73 0.627 -4.513 3.458 528 1HG1 ILE 73 2HG1 ILE 73 -0.002 -7.471 3.598 529 2HG1 ILE 73 1HG1 ILE 73 -1.093 -6.160 4.037 530 1HG2 ILE 73 1HG2 ILE 73 2.378 -6.896 2.861 531 2HG2 ILE 73 2HG2 ILE 73 2.885 -5.207 2.863 532 3HG2 ILE 73 3HG2 ILE 73 1.719 -5.776 1.668 533 1HD1 ILE 73 1HD1 ILE 73 -0.007 -6.704 1.281 534 2HD1 ILE 73 2HD1 ILE 73 -1.096 -5.386 1.718 535 3HD1 ILE 73 3HD1 ILE 73 -1.639 -7.059 1.848 536 H ASP 74 H ASP 74 3.701 -6.267 5.925 537 HA ASP 74 HA ASP 74 4.551 -3.568 6.471 538 1HB ASP 74 2HB ASP 74 6.019 -6.195 6.707 539 2HB ASP 74 1HB ASP 74 6.654 -4.643 7.241 540 H GLY 75 H GLY 75 4.867 -2.408 4.679 541 1HA GLY 75 2HA GLY 75 5.972 -3.312 2.259 542 2HA GLY 75 1HA GLY 75 5.839 -1.636 2.757 543 H ARG 76 H ARG 76 7.507 -2.711 5.227 544 HA ARG 76 HA ARG 76 10.042 -2.088 3.971 545 1HB ARG 76 2HB ARG 76 10.848 -1.661 6.252 546 2HB ARG 76 1HB ARG 76 9.426 -0.704 5.863 547 1HG ARG 76 2HG ARG 76 8.027 -2.276 7.101 548 2HG ARG 76 1HG ARG 76 9.455 -3.236 7.490 549 1HD ARG 76 2HD ARG 76 8.966 -0.370 8.298 550 2HD ARG 76 1HD ARG 76 8.829 -1.778 9.350 551 HE ARG 76 HE ARG 76 11.202 -0.389 8.696 552 1HH1 ARG 76 1HH1 ARG 76 9.985 -3.609 9.282 553 2HH1 ARG 76 2HH1 ARG 76 11.527 -4.240 9.752 554 1HH2 ARG 76 1HH2 ARG 76 13.228 -1.217 9.321 555 2HH2 ARG 76 2HH2 ARG 76 13.367 -2.883 9.778 556 H ALA 77 H ALA 77 8.506 -4.555 5.884 557 HA ALA 77 HA ALA 77 10.926 -6.156 5.867 558 1HB ALA 77 1HB ALA 77 10.170 -6.323 7.989 559 2HB ALA 77 2HB ALA 77 9.270 -7.670 7.292 560 3HB ALA 77 3HB ALA 77 8.483 -6.108 7.519 561 H LEU 78 H LEU 78 8.248 -5.813 3.906 562 HA LEU 78 HA LEU 78 8.531 -8.594 2.979 563 1HB LEU 78 2HB LEU 78 6.029 -6.953 3.248 564 2HB LEU 78 1HB LEU 78 6.114 -8.339 2.178 565 HG LEU 78 HG LEU 78 5.085 -8.912 4.329 566 1HD1 LEU 78 1HD1 LEU 78 6.460 -10.865 4.845 567 2HD1 LEU 78 2HD1 LEU 78 7.790 -10.176 3.916 568 3HD1 LEU 78 3HD1 LEU 78 6.293 -10.634 3.106 569 1HD2 LEU 78 1HD2 LEU 78 6.921 -7.225 5.440 570 2HD2 LEU 78 2HD2 LEU 78 7.579 -8.807 5.854 571 3HD2 LEU 78 3HD2 LEU 78 5.935 -8.383 6.331 572 H VAL 79 H VAL 79 10.115 -6.571 1.959 573 HA VAL 79 HA VAL 79 8.965 -5.511 -0.437 574 HB VAL 79 HB VAL 79 10.774 -4.309 0.685 575 1HG1 VAL 79 1HG1 VAL 79 12.897 -6.120 -0.230 576 2HG1 VAL 79 2HG1 VAL 79 11.914 -6.730 1.103 577 3HG1 VAL 79 3HG1 VAL 79 12.758 -5.190 1.263 578 1HG2 VAL 79 1HG2 VAL 79 11.998 -5.186 -1.889 579 2HG2 VAL 79 2HG2 VAL 79 11.807 -3.562 -1.227 580 3HG2 VAL 79 3HG2 VAL 79 10.416 -4.405 -1.911 581 H ALA 80 H ALA 80 8.305 -7.043 -1.861 582 HA ALA 80 HA ALA 80 10.095 -9.272 -2.480 583 1HB ALA 80 1HB ALA 80 8.064 -10.244 -2.247 584 2HB ALA 80 2HB ALA 80 7.935 -9.820 -3.953 585 3HB ALA 80 3HB ALA 80 7.189 -8.793 -2.729 586 H ARG 81 H ARG 81 10.693 -9.801 -4.605 587 HA ARG 81 HA ARG 81 10.579 -7.547 -6.502 588 1HB ARG 81 2HB ARG 81 12.764 -9.620 -6.211 589 2HB ARG 81 1HB ARG 81 12.741 -8.313 -7.382 590 1HG ARG 81 2HG ARG 81 14.186 -7.591 -5.698 591 2HG ARG 81 1HG ARG 81 12.676 -6.737 -5.388 592 1HD ARG 81 2HD ARG 81 12.108 -8.271 -3.624 593 2HD ARG 81 1HD ARG 81 13.492 -9.292 -4.008 594 HE ARG 81 HE ARG 81 14.397 -6.703 -3.410 595 1HH1 ARG 81 1HH1 ARG 81 12.953 -9.462 -1.837 596 2HH1 ARG 81 2HH1 ARG 81 13.667 -9.116 -0.297 597 1HH2 ARG 81 1HH2 ARG 81 15.338 -6.246 -1.388 598 2HH2 ARG 81 2HH2 ARG 81 15.021 -7.289 -0.042 599 HA PRO 82 HA PRO 82 8.567 -9.969 -9.579 600 1HB PRO 82 2HB PRO 82 10.371 -9.655 -11.707 601 2HB PRO 82 1HB PRO 82 9.002 -8.604 -11.334 602 1HG PRO 82 2HG PRO 82 11.887 -8.269 -10.668 603 2HG PRO 82 1HG PRO 82 10.681 -7.043 -11.096 604 1HD PRO 82 2HD PRO 82 11.488 -7.365 -8.568 605 2HD PRO 82 1HD PRO 82 9.792 -6.992 -8.950 606 H GLU 83 H GLU 83 8.543 -12.059 -10.245 607 HA GLU 83 HA GLU 83 10.410 -13.875 -9.252 608 1HB GLU 83 2HB GLU 83 8.103 -14.489 -9.784 609 2HB GLU 83 1HB GLU 83 8.423 -14.249 -11.496 610 1HG GLU 83 2HG GLU 83 10.039 -16.079 -11.452 611 2HG GLU 83 1HG GLU 83 9.721 -16.316 -9.736 612 H GLU 84 H GLU 84 10.469 -12.012 -12.133 613 HA GLU 84 HA GLU 84 12.379 -13.739 -13.470 614 1HB GLU 84 2HB GLU 84 10.698 -12.565 -14.805 615 2HB GLU 84 1HB GLU 84 11.302 -11.017 -14.229 616 1HG GLU 84 2HG GLU 84 13.444 -11.446 -15.324 617 2HG GLU 84 1HG GLU 84 12.836 -12.996 -15.902 618 H ARG 85 H ARG 85 12.327 -10.672 -11.741 619 HA ARG 85 HA ARG 85 15.271 -10.716 -11.731 620 1HB ARG 85 2HB ARG 85 14.466 -8.932 -13.217 621 2HB ARG 85 1HB ARG 85 13.504 -8.268 -11.905 622 1HG ARG 85 2HG ARG 85 15.532 -7.782 -10.647 623 2HG ARG 85 1HG ARG 85 16.507 -8.472 -11.945 624 1HD ARG 85 2HD ARG 85 16.463 -6.044 -12.099 625 2HD ARG 85 1HD ARG 85 15.652 -6.771 -13.485 626 HE ARG 85 HE ARG 85 13.732 -6.225 -11.527 627 1HH1 ARG 85 1HH1 ARG 85 15.881 -4.512 -13.677 628 2HH1 ARG 85 2HH1 ARG 85 14.853 -3.123 -13.802 629 1HH2 ARG 85 1HH2 ARG 85 12.377 -4.400 -11.689 630 2HH2 ARG 85 2HH2 ARG 85 12.864 -3.060 -12.673 631 H ILE 86 H ILE 86 15.841 -11.263 -9.728 632 HA ILE 86 HA ILE 86 14.418 -9.996 -7.477 633 HB ILE 86 HB ILE 86 15.808 -12.680 -7.470 634 1HG1 ILE 86 2HG1 ILE 86 12.858 -12.007 -7.425 635 2HG1 ILE 86 1HG1 ILE 86 13.727 -12.708 -8.784 636 1HG2 ILE 86 1HG2 ILE 86 15.637 -12.696 -5.251 637 2HG2 ILE 86 2HG2 ILE 86 13.961 -12.150 -5.304 638 3HG2 ILE 86 3HG2 ILE 86 15.273 -10.975 -5.349 639 1HD1 ILE 86 1HD1 ILE 86 14.298 -14.450 -6.753 640 2HD1 ILE 86 2HD1 ILE 86 13.047 -14.664 -7.976 641 3HD1 ILE 86 3HD1 ILE 86 12.636 -13.973 -6.407 Start of MODEL 14 1 H ARG 9 H ARG 9 -6.295 -8.321 -13.033 2 HA ARG 9 HA ARG 9 -8.950 -7.063 -13.203 3 1HB ARG 9 2HB ARG 9 -8.926 -9.503 -13.525 4 2HB ARG 9 1HB ARG 9 -8.154 -9.702 -11.958 5 1HG ARG 9 2HG ARG 9 -10.503 -10.190 -11.783 6 2HG ARG 9 1HG ARG 9 -10.134 -8.720 -10.881 7 1HD ARG 9 2HD ARG 9 -10.944 -7.370 -12.757 8 2HD ARG 9 1HD ARG 9 -11.315 -8.841 -13.656 9 HE ARG 9 HE ARG 9 -12.935 -7.614 -11.689 10 1HH1 ARG 9 1HH1 ARG 9 -11.964 -10.751 -12.872 11 2HH1 ARG 9 2HH1 ARG 9 -13.385 -11.549 -12.288 12 1HH2 ARG 9 1HH2 ARG 9 -14.805 -8.661 -10.926 13 2HH2 ARG 9 2HH2 ARG 9 -14.999 -10.363 -11.185 14 H HIS 10 H HIS 10 -10.027 -6.463 -11.267 15 HA HIS 10 HA HIS 10 -8.194 -5.555 -9.193 16 1HB HIS 10 2HB HIS 10 -11.140 -4.984 -9.591 17 2HB HIS 10 1HB HIS 10 -10.096 -4.209 -8.403 18 HD1 HIS 10 1HD HIS 10 -11.277 -2.183 -10.042 19 HD2 HIS 10 2HD HIS 10 -7.995 -4.315 -11.442 20 HE1 HIS 10 1HE HIS 10 -10.270 -0.756 -11.852 21 HE2 HIS 10 2HE HIS 10 -8.241 -2.031 -12.630 22 H GLU 11 H GLU 11 -9.166 -5.611 -6.881 23 HA GLU 11 HA GLU 11 -10.919 -7.695 -6.150 24 1HB GLU 11 2HB GLU 11 -9.094 -9.137 -6.913 25 2HB GLU 11 1HB GLU 11 -7.978 -8.317 -5.830 26 1HG GLU 11 2HG GLU 11 -9.255 -9.113 -3.907 27 2HG GLU 11 1HG GLU 11 -10.375 -9.933 -4.993 28 H LEU 12 H LEU 12 -8.183 -5.669 -5.212 29 HA LEU 12 HA LEU 12 -9.439 -5.361 -2.566 30 1HB LEU 12 2HB LEU 12 -7.286 -4.965 -1.586 31 2HB LEU 12 1HB LEU 12 -7.242 -6.480 -2.462 32 HG LEU 12 HG LEU 12 -6.138 -3.883 -3.533 33 1HD1 LEU 12 1HD1 LEU 12 -4.897 -4.567 -1.557 34 2HD1 LEU 12 2HD1 LEU 12 -3.935 -4.822 -3.012 35 3HD1 LEU 12 3HD1 LEU 12 -4.711 -6.192 -2.218 36 1HD2 LEU 12 1HD2 LEU 12 -6.447 -6.608 -4.598 37 2HD2 LEU 12 2HD2 LEU 12 -4.860 -5.879 -4.832 38 3HD2 LEU 12 3HD2 LEU 12 -6.301 -5.066 -5.443 39 H ILE 13 H ILE 13 -9.764 -3.846 -5.159 40 HA ILE 13 HA ILE 13 -8.711 -1.221 -4.456 41 HB ILE 13 HB ILE 13 -10.373 -2.060 -6.838 42 1HG1 ILE 13 2HG1 ILE 13 -7.399 -1.559 -6.565 43 2HG1 ILE 13 1HG1 ILE 13 -8.166 -3.123 -6.821 44 1HG2 ILE 13 1HG2 ILE 13 -10.727 0.244 -6.556 45 2HG2 ILE 13 2HG2 ILE 13 -9.448 0.129 -7.764 46 3HG2 ILE 13 3HG2 ILE 13 -9.050 0.532 -6.094 47 1HD1 ILE 13 1HD1 ILE 13 -7.394 -1.118 -8.734 48 2HD1 ILE 13 2HD1 ILE 13 -9.099 -1.535 -8.898 49 3HD1 ILE 13 3HD1 ILE 13 -7.871 -2.797 -8.989 50 H GLY 14 H GLY 14 -10.111 0.650 -4.322 51 1HA GLY 14 2HA GLY 14 -12.236 1.671 -4.031 52 2HA GLY 14 1HA GLY 14 -12.926 0.085 -3.729 53 H LEU 15 H LEU 15 -10.667 -0.548 -1.865 54 HA LEU 15 HA LEU 15 -11.898 0.584 0.494 55 1HB LEU 15 2HB LEU 15 -10.338 -0.925 1.715 56 2HB LEU 15 1HB LEU 15 -11.407 -1.743 0.593 57 HG LEU 15 HG LEU 15 -9.541 -1.886 -1.037 58 1HD1 LEU 15 1HD1 LEU 15 -8.107 -0.439 1.143 59 2HD1 LEU 15 2HD1 LEU 15 -8.062 -0.178 -0.601 60 3HD1 LEU 15 3HD1 LEU 15 -7.227 -1.560 0.106 61 1HD2 LEU 15 1HD2 LEU 15 -8.139 -3.480 0.422 62 2HD2 LEU 15 2HD2 LEU 15 -9.847 -3.841 0.175 63 3HD2 LEU 15 3HD2 LEU 15 -9.311 -3.106 1.685 64 H SER 16 H SER 16 -10.468 1.349 2.306 65 HA SER 16 HA SER 16 -8.638 3.357 1.239 66 1HB SER 16 2HB SER 16 -10.385 4.122 2.776 67 2HB SER 16 1HB SER 16 -9.795 3.019 4.019 68 HG SER 16 HG SER 16 -8.228 5.077 2.853 69 H VAL 17 H VAL 17 -6.591 3.779 2.295 70 HA VAL 17 HA VAL 17 -5.387 1.362 3.479 71 HB VAL 17 HB VAL 17 -3.997 3.330 1.658 72 1HG1 VAL 17 1HG1 VAL 17 -2.288 1.433 1.609 73 2HG1 VAL 17 2HG1 VAL 17 -3.118 0.812 3.036 74 3HG1 VAL 17 3HG1 VAL 17 -2.373 2.411 3.075 75 1HG2 VAL 17 1HG2 VAL 17 -3.938 1.270 0.123 76 2HG2 VAL 17 2HG2 VAL 17 -5.446 2.181 0.232 77 3HG2 VAL 17 3HG2 VAL 17 -5.265 0.666 1.117 78 H ARG 18 H ARG 18 -3.520 1.770 4.877 79 HA ARG 18 HA ARG 18 -3.281 4.488 5.918 80 1HB ARG 18 2HB ARG 18 -5.085 3.253 7.200 81 2HB ARG 18 1HB ARG 18 -3.830 2.158 7.761 82 1HG ARG 18 2HG ARG 18 -3.802 5.131 8.231 83 2HG ARG 18 1HG ARG 18 -4.448 3.953 9.370 84 1HD ARG 18 2HD ARG 18 -2.197 2.852 9.374 85 2HD ARG 18 1HD ARG 18 -1.603 4.199 8.407 86 HE ARG 18 HE ARG 18 -1.439 5.399 10.323 87 1HH1 ARG 18 1HH1 ARG 18 -3.817 2.895 10.833 88 2HH1 ARG 18 2HH1 ARG 18 -4.120 3.347 12.477 89 1HH2 ARG 18 1HH2 ARG 18 -1.831 5.987 12.486 90 2HH2 ARG 18 2HH2 ARG 18 -2.993 5.100 13.416 91 H ILE 19 H ILE 19 -1.189 4.931 5.994 92 HA ILE 19 HA ILE 19 0.774 2.793 6.065 93 HB ILE 19 HB ILE 19 1.190 5.782 5.884 94 1HG1 ILE 19 2HG1 ILE 19 -0.056 4.926 3.963 95 2HG1 ILE 19 1HG1 ILE 19 1.581 5.374 3.488 96 1HG2 ILE 19 1HG2 ILE 19 3.444 5.264 5.190 97 2HG2 ILE 19 2HG2 ILE 19 3.114 3.536 5.296 98 3HG2 ILE 19 3HG2 ILE 19 3.128 4.520 6.758 99 1HD1 ILE 19 1HD1 ILE 19 2.245 3.015 3.558 100 2HD1 ILE 19 2HD1 ILE 19 0.906 3.278 2.439 101 3HD1 ILE 19 3HD1 ILE 19 0.606 2.568 4.027 102 H ALA 20 H ALA 20 2.108 2.315 7.747 103 HA ALA 20 HA ALA 20 1.714 3.856 10.222 104 1HB ALA 20 1HB ALA 20 1.877 0.956 9.697 105 2HB ALA 20 2HB ALA 20 0.928 1.842 10.890 106 3HB ALA 20 3HB ALA 20 2.642 1.542 11.174 107 H ARG 21 H ARG 21 4.042 2.422 8.085 108 HA ARG 21 HA ARG 21 6.126 4.069 9.164 109 1HB ARG 21 2HB ARG 21 6.423 1.064 9.268 110 2HB ARG 21 1HB ARG 21 7.690 2.227 9.620 111 1HG ARG 21 2HG ARG 21 6.378 3.066 11.518 112 2HG ARG 21 1HG ARG 21 5.134 1.863 11.173 113 1HD ARG 21 2HD ARG 21 6.763 0.071 11.537 114 2HD ARG 21 1HD ARG 21 8.006 1.272 11.888 115 HE ARG 21 HE ARG 21 6.069 0.277 13.688 116 1HH1 ARG 21 1HH1 ARG 21 7.758 3.210 12.830 117 2HH1 ARG 21 2HH1 ARG 21 7.567 3.922 14.396 118 1HH2 ARG 21 1HH2 ARG 21 5.825 1.212 15.748 119 2HH2 ARG 21 2HH2 ARG 21 6.474 2.789 16.053 120 H SER 22 H SER 22 7.503 4.673 7.588 121 HA SER 22 HA SER 22 7.752 2.987 5.205 122 1HB SER 22 2HB SER 22 7.080 5.938 5.143 123 2HB SER 22 1HB SER 22 7.465 4.952 3.733 124 HG SER 22 HG SER 22 5.241 5.064 3.949 125 H VAL 23 H VAL 23 9.541 3.704 3.770 126 HA VAL 23 HA VAL 23 11.931 3.975 5.216 127 HB VAL 23 HB VAL 23 11.924 2.878 3.070 128 1HG1 VAL 23 1HG1 VAL 23 10.738 5.429 2.161 129 2HG1 VAL 23 2HG1 VAL 23 10.415 3.778 1.638 130 3HG1 VAL 23 3HG1 VAL 23 11.844 4.628 1.048 131 1HG2 VAL 23 1HG2 VAL 23 13.828 4.046 1.972 132 2HG2 VAL 23 2HG2 VAL 23 14.035 3.833 3.711 133 3HG2 VAL 23 3HG2 VAL 23 13.569 5.406 3.065 134 H HIS 24 H HIS 24 9.855 6.339 3.684 135 HA HIS 24 HA HIS 24 11.672 8.460 4.621 136 1HB HIS 24 2HB HIS 24 9.980 8.333 2.135 137 2HB HIS 24 1HB HIS 24 10.512 9.870 2.804 138 HD1 HIS 24 1HD HIS 24 12.333 6.595 2.094 139 HD2 HIS 24 2HD HIS 24 12.668 10.677 1.412 140 HE1 HIS 24 1HE HIS 24 14.485 6.888 0.829 141 HE2 HIS 24 2HE HIS 24 14.614 9.355 0.337 142 H ARG 25 H ARG 25 10.844 10.048 5.860 143 HA ARG 25 HA ARG 25 8.398 9.605 7.193 144 1HB ARG 25 2HB ARG 25 10.115 12.091 7.131 145 2HB ARG 25 1HB ARG 25 8.849 11.748 8.304 146 1HG ARG 25 2HG ARG 25 10.100 9.828 9.120 147 2HG ARG 25 1HG ARG 25 11.357 10.126 7.918 148 1HD ARG 25 2HD ARG 25 11.793 12.317 8.934 149 2HD ARG 25 1HD ARG 25 10.552 11.995 10.145 150 HE ARG 25 HE ARG 25 12.400 9.900 10.210 151 1HH1 ARG 25 1HH1 ARG 25 12.260 13.314 10.917 152 2HH1 ARG 25 2HH1 ARG 25 13.486 13.239 12.138 153 1HH2 ARG 25 1HH2 ARG 25 14.013 9.799 11.815 154 2HH2 ARG 25 2HH2 ARG 25 14.481 11.244 12.648 155 H ASP 26 H ASP 26 9.072 11.146 4.225 156 HA ASP 26 HA ASP 26 7.044 13.108 4.239 157 1HB ASP 26 2HB ASP 26 7.327 13.164 1.801 158 2HB ASP 26 1HB ASP 26 8.881 13.174 2.629 159 H ILE 27 H ILE 27 6.849 9.724 4.100 160 HA ILE 27 HA ILE 27 4.036 9.927 3.390 161 HB ILE 27 HB ILE 27 4.073 7.867 2.110 162 1HG1 ILE 27 2HG1 ILE 27 6.145 6.967 3.327 163 2HG1 ILE 27 1HG1 ILE 27 6.001 6.611 1.611 164 1HG2 ILE 27 1HG2 ILE 27 6.004 8.948 0.408 165 2HG2 ILE 27 2HG2 ILE 27 5.348 10.314 1.308 166 3HG2 ILE 27 3HG2 ILE 27 4.268 9.258 0.399 167 1HD1 ILE 27 1HD1 ILE 27 7.691 8.818 2.771 168 2HD1 ILE 27 2HD1 ILE 27 7.610 8.326 1.084 169 3HD1 ILE 27 3HD1 ILE 27 8.283 7.230 2.289 170 H GLN 28 H GLN 28 5.931 9.375 5.823 171 HA GLN 28 HA GLN 28 4.950 6.812 6.697 172 1HB GLN 28 2HB GLN 28 7.254 7.423 7.209 173 2HB GLN 28 1HB GLN 28 6.700 8.844 8.084 174 1HG GLN 28 2HG GLN 28 5.600 7.411 9.724 175 2HG GLN 28 1HG GLN 28 6.149 5.986 8.844 176 1HE2 GLN 28 1HE2 GLN 28 7.829 5.049 9.734 177 2HE2 GLN 28 2HE2 GLN 28 9.105 5.833 10.596 178 H GLY 29 H GLY 29 3.118 6.526 7.781 179 1HA GLY 29 2HA GLY 29 1.487 6.898 9.392 180 2HA GLY 29 1HA GLY 29 2.250 8.435 9.769 181 H ILE 30 H ILE 30 1.637 8.006 6.447 182 HA ILE 30 HA ILE 30 -0.575 9.882 6.629 183 HB ILE 30 HB ILE 30 1.181 9.145 4.290 184 1HG1 ILE 30 2HG1 ILE 30 1.915 11.503 4.456 185 2HG1 ILE 30 1HG1 ILE 30 0.896 11.708 5.877 186 1HG2 ILE 30 1HG2 ILE 30 -1.012 9.585 3.429 187 2HG2 ILE 30 2HG2 ILE 30 0.006 10.986 3.097 188 3HG2 ILE 30 3HG2 ILE 30 -1.160 11.038 4.418 189 1HD1 ILE 30 1HD1 ILE 30 2.352 10.637 7.236 190 2HD1 ILE 30 2HD1 ILE 30 3.509 11.143 6.005 191 3HD1 ILE 30 3HD1 ILE 30 2.857 9.505 5.982 192 H SER 31 H SER 31 -2.590 9.210 6.340 193 HA SER 31 HA SER 31 -3.064 6.550 5.237 194 1HB SER 31 2HB SER 31 -4.161 7.105 7.358 195 2HB SER 31 1HB SER 31 -4.951 8.489 6.603 196 HG SER 31 HG SER 31 -6.467 7.127 6.125 197 H GLY 32 H GLY 32 -4.472 6.160 3.491 198 1HA GLY 32 2HA GLY 32 -5.615 8.395 2.054 199 2HA GLY 32 1HA GLY 32 -4.250 7.645 1.248 200 H ARG 33 H ARG 33 -5.801 7.234 -0.448 201 HA ARG 33 HA ARG 33 -7.469 4.894 0.115 202 1HB ARG 33 2HB ARG 33 -8.605 7.067 -0.596 203 2HB ARG 33 1HB ARG 33 -7.975 6.729 -2.196 204 1HG ARG 33 2HG ARG 33 -9.471 5.083 -2.572 205 2HG ARG 33 1HG ARG 33 -9.370 4.488 -0.915 206 1HD ARG 33 2HD ARG 33 -10.849 6.970 -1.774 207 2HD ARG 33 1HD ARG 33 -11.596 5.400 -1.489 208 HE ARG 33 HE ARG 33 -10.155 6.122 0.796 209 1HH1 ARG 33 1HH1 ARG 33 -12.972 7.154 -0.988 210 2HH1 ARG 33 2HH1 ARG 33 -13.772 7.800 0.406 211 1HH2 ARG 33 1HH2 ARG 33 -11.205 6.972 2.629 212 2HH2 ARG 33 2HH2 ARG 33 -12.768 7.697 2.459 213 H VAL 34 H VAL 34 -7.833 3.570 -2.035 214 HA VAL 34 HA VAL 34 -5.113 2.905 -2.890 215 HB VAL 34 HB VAL 34 -6.378 1.176 -1.705 216 1HG1 VAL 34 1HG1 VAL 34 -8.150 0.994 -4.127 217 2HG1 VAL 34 2HG1 VAL 34 -8.605 1.865 -2.663 218 3HG1 VAL 34 3HG1 VAL 34 -8.302 0.130 -2.597 219 1HG2 VAL 34 1HG2 VAL 34 -5.826 0.454 -4.581 220 2HG2 VAL 34 2HG2 VAL 34 -5.866 -0.655 -3.209 221 3HG2 VAL 34 3HG2 VAL 34 -4.609 0.578 -3.310 222 H VAL 35 H VAL 35 -4.587 2.221 -4.992 223 HA VAL 35 HA VAL 35 -6.549 2.725 -7.084 224 HB VAL 35 HB VAL 35 -5.154 4.806 -6.913 225 1HG1 VAL 35 1HG1 VAL 35 -3.052 3.400 -6.488 226 2HG1 VAL 35 2HG1 VAL 35 -2.946 4.906 -7.383 227 3HG1 VAL 35 3HG1 VAL 35 -2.951 3.365 -8.241 228 1HG2 VAL 35 1HG2 VAL 35 -5.496 5.163 -9.104 229 2HG2 VAL 35 2HG2 VAL 35 -6.178 3.537 -9.084 230 3HG2 VAL 35 3HG2 VAL 35 -4.504 3.786 -9.575 231 H ASP 36 H ASP 36 -3.242 1.585 -6.355 232 HA ASP 36 HA ASP 36 -3.760 -0.886 -7.703 233 1HB ASP 36 2HB ASP 36 -3.186 0.543 -9.619 234 2HB ASP 36 1HB ASP 36 -1.675 0.992 -8.834 235 H GLU 37 H GLU 37 -1.812 -2.348 -7.603 236 HA GLU 37 HA GLU 37 -0.059 -1.643 -5.345 237 1HB GLU 37 2HB GLU 37 -1.779 -3.223 -4.588 238 2HB GLU 37 1HB GLU 37 -1.341 -4.332 -5.881 239 1HG GLU 37 2HG GLU 37 0.877 -4.606 -4.906 240 2HG GLU 37 1HG GLU 37 0.449 -3.485 -3.614 241 H THR 38 H THR 38 2.072 -1.883 -5.752 242 HA THR 38 HA THR 38 2.828 -3.465 -8.121 243 HB THR 38 HB THR 38 4.240 -1.021 -7.043 244 HG1 THR 38 1HG THR 38 2.505 -1.291 -9.270 245 1HG2 THR 38 1HG2 THR 38 4.726 -2.810 -9.362 246 2HG2 THR 38 2HG2 THR 38 5.872 -2.041 -8.268 247 3HG2 THR 38 3HG2 THR 38 5.072 -1.089 -9.517 248 H ARG 39 H ARG 39 4.733 -4.680 -8.032 249 HA ARG 39 HA ARG 39 5.263 -6.042 -5.699 250 1HB ARG 39 2HB ARG 39 7.139 -7.026 -6.785 251 2HB ARG 39 1HB ARG 39 5.892 -6.774 -7.996 252 1HG ARG 39 2HG ARG 39 8.190 -4.889 -7.569 253 2HG ARG 39 1HG ARG 39 8.226 -6.230 -8.712 254 1HD ARG 39 2HD ARG 39 6.315 -3.902 -8.737 255 2HD ARG 39 1HD ARG 39 7.652 -4.168 -9.849 256 HE ARG 39 HE ARG 39 5.939 -6.390 -9.930 257 1HH1 ARG 39 1HH1 ARG 39 6.019 -3.031 -10.870 258 2HH1 ARG 39 2HH1 ARG 39 4.914 -3.243 -12.186 259 1HH2 ARG 39 1HH2 ARG 39 4.485 -6.672 -11.660 260 2HH2 ARG 39 2HH2 ARG 39 4.042 -5.311 -12.634 261 H ASN 40 H ASN 40 6.464 -2.929 -6.609 262 HA ASN 40 HA ASN 40 8.052 -2.924 -4.147 263 1HB ASN 40 2HB ASN 40 9.905 -1.750 -5.234 264 2HB ASN 40 1HB ASN 40 9.644 -3.337 -5.936 265 1HD2 ASN 40 1HD2 ASN 40 7.207 -1.342 -7.055 266 2HD2 ASN 40 2HD2 ASN 40 7.934 -0.854 -8.535 267 H THR 41 H THR 41 5.462 -1.618 -5.362 268 HA THR 41 HA THR 41 5.858 0.848 -3.940 269 HB THR 41 HB THR 41 5.018 2.217 -5.939 270 HG1 THR 41 1HG THR 41 4.999 1.311 -7.823 271 1HG2 THR 41 1HG2 THR 41 7.332 2.289 -4.987 272 2HG2 THR 41 2HG2 THR 41 7.182 2.741 -6.684 273 3HG2 THR 41 3HG2 THR 41 7.800 1.148 -6.248 274 H LEU 42 H LEU 42 3.993 1.961 -3.446 275 HA LEU 42 HA LEU 42 1.522 0.413 -3.832 276 1HB LEU 42 2HB LEU 42 2.472 2.226 -1.648 277 2HB LEU 42 1HB LEU 42 0.754 1.998 -1.900 278 HG LEU 42 HG LEU 42 2.764 -0.143 -1.205 279 1HD1 LEU 42 1HD1 LEU 42 0.946 1.561 0.338 280 2HD1 LEU 42 2HD1 LEU 42 2.364 0.653 0.860 281 3HD1 LEU 42 3HD1 LEU 42 0.807 -0.160 0.698 282 1HD2 LEU 42 1HD2 LEU 42 0.749 -1.606 -1.022 283 2HD2 LEU 42 2HD2 LEU 42 1.128 -1.112 -2.672 284 3HD2 LEU 42 3HD2 LEU 42 -0.187 -0.328 -1.798 285 H ARG 43 H ARG 43 -0.079 1.261 -5.012 286 HA ARG 43 HA ARG 43 0.185 4.075 -5.795 287 1HB ARG 43 2HB ARG 43 -0.021 1.871 -7.368 288 2HB ARG 43 1HB ARG 43 -1.711 2.309 -7.230 289 1HG ARG 43 2HG ARG 43 -1.181 4.563 -8.065 290 2HG ARG 43 1HG ARG 43 0.510 4.091 -8.210 291 1HD ARG 43 2HD ARG 43 -0.100 2.360 -9.821 292 2HD ARG 43 1HD ARG 43 -1.799 2.802 -9.667 293 HE ARG 43 HE ARG 43 -0.354 5.083 -10.402 294 1HH1 ARG 43 1HH1 ARG 43 -1.282 1.992 -11.729 295 2HH1 ARG 43 2HH1 ARG 43 -1.289 2.554 -13.366 296 1HH2 ARG 43 1HH2 ARG 43 -0.363 5.826 -12.555 297 2HH2 ARG 43 2HH2 ARG 43 -0.768 4.732 -13.836 298 H ILE 44 H ILE 44 -1.309 5.499 -5.112 299 HA ILE 44 HA ILE 44 -3.602 4.456 -3.580 300 HB ILE 44 HB ILE 44 -1.961 6.962 -3.252 301 1HG1 ILE 44 2HG1 ILE 44 -2.425 4.583 -1.448 302 2HG1 ILE 44 1HG1 ILE 44 -0.959 4.923 -2.362 303 1HG2 ILE 44 1HG2 ILE 44 -3.514 7.984 -2.048 304 2HG2 ILE 44 2HG2 ILE 44 -3.859 6.530 -1.123 305 3HG2 ILE 44 3HG2 ILE 44 -4.665 6.805 -2.665 306 1HD1 ILE 44 1HD1 ILE 44 -0.267 5.805 -0.425 307 2HD1 ILE 44 2HD1 ILE 44 -1.908 6.041 0.176 308 3HD1 ILE 44 3HD1 ILE 44 -1.202 7.206 -0.946 309 H GLU 45 H GLU 45 -5.614 4.863 -4.312 310 HA GLU 45 HA GLU 45 -6.070 7.403 -5.678 311 1HB GLU 45 2HB GLU 45 -6.163 5.955 -7.540 312 2HB GLU 45 1HB GLU 45 -7.058 4.724 -6.658 313 1HG GLU 45 2HG GLU 45 -8.997 6.231 -6.585 314 2HG GLU 45 1HG GLU 45 -8.082 7.430 -7.499 315 H MET 46 H MET 46 -7.884 8.398 -5.213 316 HA MET 46 HA MET 46 -9.549 7.323 -3.044 317 1HB MET 46 2HB MET 46 -8.793 10.147 -3.794 318 2HB MET 46 1HB MET 46 -10.061 9.779 -2.640 319 1HG MET 46 2HG MET 46 -7.963 10.371 -1.557 320 2HG MET 46 1HG MET 46 -8.467 8.736 -1.162 321 1HE MET 46 1HE MET 46 -5.877 9.892 -4.473 322 2HE MET 46 2HE MET 46 -4.866 10.389 -3.118 323 3HE MET 46 3HE MET 46 -6.511 11.006 -3.265 324 H ASP 47 H ASP 47 -11.652 6.989 -3.452 325 HA ASP 47 HA ASP 47 -12.823 6.972 -5.903 326 1HB ASP 47 2HB ASP 47 -13.817 5.932 -3.917 327 2HB ASP 47 1HB ASP 47 -14.221 7.523 -3.280 328 H ASP 48 H ASP 48 -12.342 9.733 -3.880 329 HA ASP 48 HA ASP 48 -14.241 11.474 -4.997 330 1HB ASP 48 2HB ASP 48 -11.551 12.125 -3.775 331 2HB ASP 48 1HB ASP 48 -12.843 13.285 -4.072 332 H GLY 49 H GLY 49 -11.499 10.092 -6.404 333 1HA GLY 49 2HA GLY 49 -11.082 10.343 -8.736 334 2HA GLY 49 1HA GLY 49 -11.674 11.992 -8.633 335 H ARG 50 H ARG 50 -9.534 10.855 -6.183 336 HA ARG 50 HA ARG 50 -7.413 12.574 -7.287 337 1HB ARG 50 2HB ARG 50 -7.848 11.609 -4.457 338 2HB ARG 50 1HB ARG 50 -6.518 12.628 -4.979 339 1HG ARG 50 2HG ARG 50 -9.423 13.394 -5.175 340 2HG ARG 50 1HG ARG 50 -8.357 13.843 -3.842 341 1HD ARG 50 2HD ARG 50 -8.395 15.700 -5.301 342 2HD ARG 50 1HD ARG 50 -6.849 14.899 -5.572 343 HE ARG 50 HE ARG 50 -8.749 13.925 -7.406 344 1HH1 ARG 50 1HH1 ARG 50 -6.891 16.795 -6.713 345 2HH1 ARG 50 2HH1 ARG 50 -6.872 17.332 -8.360 346 1HH2 ARG 50 1HH2 ARG 50 -8.725 14.627 -9.571 347 2HH2 ARG 50 2HH2 ARG 50 -7.915 16.100 -9.982 348 H GLU 51 H GLU 51 -5.150 11.854 -6.911 349 HA GLU 51 HA GLU 51 -4.777 9.002 -6.543 350 1HB GLU 51 2HB GLU 51 -4.073 10.367 -9.142 351 2HB GLU 51 1HB GLU 51 -3.586 8.736 -8.700 352 1HG GLU 51 2HG GLU 51 -5.939 8.070 -8.593 353 2HG GLU 51 1HG GLU 51 -6.414 9.703 -9.056 354 H ILE 52 H ILE 52 -2.761 8.446 -5.883 355 HA ILE 52 HA ILE 52 -0.494 10.204 -6.119 356 HB ILE 52 HB ILE 52 -1.658 11.218 -4.204 357 1HG1 ILE 52 2HG1 ILE 52 0.215 11.116 -2.588 358 2HG1 ILE 52 1HG1 ILE 52 0.860 9.718 -3.446 359 1HG2 ILE 52 1HG2 ILE 52 -2.346 10.098 -2.336 360 2HG2 ILE 52 2HG2 ILE 52 -1.157 8.809 -2.534 361 3HG2 ILE 52 3HG2 ILE 52 -2.592 8.852 -3.559 362 1HD1 ILE 52 1HD1 ILE 52 0.564 12.512 -4.549 363 2HD1 ILE 52 2HD1 ILE 52 1.145 11.117 -5.460 364 3HD1 ILE 52 3HD1 ILE 52 2.070 11.720 -4.082 365 H THR 53 H THR 53 1.497 9.171 -5.402 366 HA THR 53 HA THR 53 1.194 6.253 -5.092 367 HB THR 53 HB THR 53 3.424 7.787 -6.437 368 HG1 THR 53 1HG THR 53 2.587 6.789 -8.310 369 1HG2 THR 53 1HG2 THR 53 4.257 5.641 -7.190 370 2HG2 THR 53 2HG2 THR 53 3.013 4.813 -6.252 371 3HG2 THR 53 3HG2 THR 53 4.270 5.736 -5.429 372 H VAL 54 H VAL 54 2.762 5.116 -3.824 373 HA VAL 54 HA VAL 54 4.465 6.705 -2.064 374 HB VAL 54 HB VAL 54 2.429 4.761 -0.965 375 1HG1 VAL 54 1HG1 VAL 54 4.594 4.851 0.256 376 2HG1 VAL 54 2HG1 VAL 54 3.223 5.409 1.217 377 3HG1 VAL 54 3HG1 VAL 54 4.338 6.578 0.507 378 1HG2 VAL 54 1HG2 VAL 54 2.539 7.773 -0.824 379 2HG2 VAL 54 2HG2 VAL 54 1.423 6.759 0.090 380 3HG2 VAL 54 3HG2 VAL 54 1.336 6.801 -1.672 381 HA PRO 55 HA PRO 55 7.051 3.145 -2.839 382 1HB PRO 55 2HB PRO 55 8.857 4.066 -0.758 383 2HB PRO 55 1HB PRO 55 9.083 4.079 -2.507 384 1HG PRO 55 2HG PRO 55 8.765 6.339 -1.029 385 2HG PRO 55 1HG PRO 55 8.272 6.208 -2.726 386 1HD PRO 55 2HD PRO 55 6.601 6.030 -0.246 387 2HD PRO 55 1HD PRO 55 6.253 6.843 -1.787 388 H LYS 56 H LYS 56 6.467 1.189 -2.118 389 HA LYS 56 HA LYS 56 6.163 0.746 0.767 390 1HB LYS 56 2HB LYS 56 4.914 -1.235 0.218 391 2HB LYS 56 1HB LYS 56 4.282 0.118 -0.706 392 1HG LYS 56 2HG LYS 56 5.348 -0.645 -2.696 393 2HG LYS 56 1HG LYS 56 6.238 -1.881 -1.810 394 1HD LYS 56 2HD LYS 56 3.235 -1.777 -2.093 395 2HD LYS 56 1HD LYS 56 4.307 -2.790 -3.059 396 1HE LYS 56 2HE LYS 56 5.066 -3.919 -1.016 397 2HE LYS 56 1HE LYS 56 3.977 -2.916 -0.062 398 1HZ LYS 56 1HZ LYS 56 2.178 -3.869 -1.606 399 2HZ LYS 56 2HZ LYS 56 2.783 -4.850 -0.367 400 3HZ LYS 56 3HZ LYS 56 3.317 -5.072 -1.957 401 H GLY 57 H GLY 57 8.551 0.401 -1.504 402 1HA GLY 57 2HA GLY 57 9.539 -2.149 -1.324 403 2HA GLY 57 1HA GLY 57 10.561 -0.725 -1.433 404 H ILE 58 H ILE 58 9.464 0.214 1.210 405 HA ILE 58 HA ILE 58 10.435 -1.756 3.069 406 HB ILE 58 HB ILE 58 11.734 0.965 3.011 407 1HG1 ILE 58 2HG1 ILE 58 13.827 -0.453 2.455 408 2HG1 ILE 58 1HG1 ILE 58 12.680 -1.685 1.936 409 1HG2 ILE 58 1HG2 ILE 58 13.014 0.287 4.830 410 2HG2 ILE 58 2HG2 ILE 58 12.674 -1.422 4.560 411 3HG2 ILE 58 3HG2 ILE 58 11.416 -0.362 5.193 412 1HD1 ILE 58 1HD1 ILE 58 12.593 -0.703 -0.038 413 2HD1 ILE 58 2HD1 ILE 58 13.627 0.607 0.533 414 3HD1 ILE 58 3HD1 ILE 58 11.877 0.717 0.723 415 H ALA 59 H ALA 59 7.910 -1.192 3.099 416 HA ALA 59 HA ALA 59 7.578 0.525 5.415 417 1HB ALA 59 1HB ALA 59 7.339 2.040 3.508 418 2HB ALA 59 2HB ALA 59 5.841 1.892 4.424 419 3HB ALA 59 3HB ALA 59 6.024 1.039 2.891 420 H VAL 60 H VAL 60 5.858 0.057 6.714 421 HA VAL 60 HA VAL 60 4.303 -2.329 5.996 422 HB VAL 60 HB VAL 60 5.521 -2.436 8.134 423 1HG1 VAL 60 1HG1 VAL 60 3.782 -0.596 9.578 424 2HG1 VAL 60 2HG1 VAL 60 4.831 0.207 8.413 425 3HG1 VAL 60 3HG1 VAL 60 5.529 -0.814 9.669 426 1HG2 VAL 60 1HG2 VAL 60 2.719 -2.254 9.055 427 2HG2 VAL 60 2HG2 VAL 60 3.872 -3.584 9.177 428 3HG2 VAL 60 3HG2 VAL 60 3.022 -3.289 7.659 429 H PHE 61 H PHE 61 2.019 -2.303 6.039 430 HA PHE 61 HA PHE 61 0.660 0.129 6.816 431 1HB PHE 61 2HB PHE 61 -0.375 0.430 4.547 432 2HB PHE 61 1HB PHE 61 1.338 0.824 4.638 433 HD1 PHE 61 1HD PHE 61 2.849 -0.152 3.180 434 HD2 PHE 61 2HD PHE 61 -1.006 -1.887 3.664 435 HE1 PHE 61 1HE PHE 61 3.309 -1.683 1.312 436 HE2 PHE 61 2HE PHE 61 -0.553 -3.422 1.793 437 HZ PHE 61 HZ PHE 61 1.608 -3.322 0.617 438 H HIS 62 H HIS 62 -1.679 -0.012 6.620 439 HA HIS 62 HA HIS 62 -2.664 -2.783 6.524 440 1HB HIS 62 2HB HIS 62 -3.436 -0.649 8.526 441 2HB HIS 62 1HB HIS 62 -4.172 -2.243 8.410 442 HD1 HIS 62 1HD HIS 62 -0.568 -1.019 8.694 443 HD2 HIS 62 2HD HIS 62 -3.162 -3.811 10.347 444 HE1 HIS 62 1HE HIS 62 0.784 -2.254 10.418 445 HE2 HIS 62 2HE HIS 62 -0.778 -4.007 11.331 446 H PHE 63 H PHE 63 -4.421 -3.088 5.298 447 HA PHE 63 HA PHE 63 -5.644 -0.756 4.040 448 1HB PHE 63 2HB PHE 63 -5.631 -3.698 3.418 449 2HB PHE 63 1HB PHE 63 -6.807 -2.627 2.670 450 HD1 PHE 63 1HD PHE 63 -3.409 -1.471 3.427 451 HD2 PHE 63 2HD PHE 63 -5.994 -3.083 0.454 452 HE1 PHE 63 1HE PHE 63 -1.772 -0.884 1.686 453 HE2 PHE 63 2HE PHE 63 -4.360 -2.499 -1.288 454 HZ PHE 63 HZ PHE 63 -2.245 -1.398 -0.674 455 H ARG 64 H ARG 64 -7.512 0.043 4.715 456 HA ARG 64 HA ARG 64 -9.301 -1.690 6.291 457 1HB ARG 64 2HB ARG 64 -8.195 0.244 7.496 458 2HB ARG 64 1HB ARG 64 -9.115 1.322 6.458 459 1HG ARG 64 2HG ARG 64 -10.343 -0.712 8.307 460 2HG ARG 64 1HG ARG 64 -10.093 0.985 8.711 461 1HD ARG 64 2HD ARG 64 -11.864 -0.148 6.550 462 2HD ARG 64 1HD ARG 64 -12.363 0.700 8.008 463 HE ARG 64 HE ARG 64 -11.614 1.881 5.551 464 1HH1 ARG 64 1HH1 ARG 64 -11.389 2.346 9.004 465 2HH1 ARG 64 2HH1 ARG 64 -11.200 4.062 8.884 466 1HH2 ARG 64 1HH2 ARG 64 -11.368 4.138 5.396 467 2HH2 ARG 64 2HH2 ARG 64 -11.191 5.080 6.839 468 H THR 65 H THR 65 -11.123 -2.197 5.270 469 HA THR 65 HA THR 65 -11.969 -0.648 2.964 470 HB THR 65 HB THR 65 -13.186 -3.160 4.124 471 HG1 THR 65 1HG THR 65 -11.699 -4.229 3.109 472 1HG2 THR 65 1HG2 THR 65 -14.389 -3.438 2.186 473 2HG2 THR 65 2HG2 THR 65 -13.354 -2.351 1.262 474 3HG2 THR 65 3HG2 THR 65 -14.497 -1.696 2.433 475 HA PRO 66 HA PRO 66 -14.890 1.970 5.012 476 1HB PRO 66 2HB PRO 66 -16.559 1.345 2.615 477 2HB PRO 66 1HB PRO 66 -16.171 2.910 3.337 478 1HG PRO 66 2HG PRO 66 -14.939 2.114 1.125 479 2HG PRO 66 1HG PRO 66 -14.047 2.965 2.399 480 1HD PRO 66 2HD PRO 66 -14.032 0.072 1.682 481 2HD PRO 66 1HD PRO 66 -12.715 1.090 2.299 482 H GLN 67 H GLN 67 -15.904 -1.143 3.694 483 HA GLN 67 HA GLN 67 -18.433 -1.253 4.931 484 1HB GLN 67 2HB GLN 67 -18.391 -3.628 4.467 485 2HB GLN 67 1HB GLN 67 -17.742 -2.747 3.092 486 1HG GLN 67 2HG GLN 67 -15.471 -3.278 3.838 487 2HG GLN 67 1HG GLN 67 -16.139 -4.184 5.189 488 1HE2 GLN 67 1HE2 GLN 67 -18.240 -4.702 2.724 489 2HE2 GLN 67 2HE2 GLN 67 -17.563 -6.145 2.064 490 H GLY 68 H GLY 68 -15.343 -1.345 6.311 491 1HA GLY 68 2HA GLY 68 -15.129 -1.246 8.696 492 2HA GLY 68 1HA GLY 68 -16.515 -2.316 8.827 493 H GLU 69 H GLU 69 -13.476 -2.522 6.980 494 HA GLU 69 HA GLU 69 -12.896 -5.032 8.412 495 1HB GLU 69 2HB GLU 69 -12.547 -4.465 5.464 496 2HB GLU 69 1HB GLU 69 -11.881 -5.873 6.280 497 1HG GLU 69 2HG GLU 69 -14.805 -5.189 6.110 498 2HG GLU 69 1HG GLU 69 -13.971 -6.359 5.092 499 H LEU 70 H LEU 70 -10.729 -5.483 8.839 500 HA LEU 70 HA LEU 70 -8.849 -3.278 8.306 501 1HB LEU 70 2HB LEU 70 -9.552 -3.244 10.641 502 2HB LEU 70 1HB LEU 70 -9.097 -4.928 10.820 503 HG LEU 70 HG LEU 70 -6.740 -4.333 10.436 504 1HD1 LEU 70 1HD1 LEU 70 -7.748 -1.488 10.411 505 2HD1 LEU 70 2HD1 LEU 70 -7.111 -2.367 9.020 506 3HD1 LEU 70 3HD1 LEU 70 -6.058 -1.995 10.385 507 1HD2 LEU 70 1HD2 LEU 70 -8.078 -2.715 12.605 508 2HD2 LEU 70 2HD2 LEU 70 -6.375 -3.171 12.559 509 3HD2 LEU 70 3HD2 LEU 70 -7.617 -4.414 12.716 510 H VAL 71 H VAL 71 -7.183 -3.896 7.119 511 HA VAL 71 HA VAL 71 -6.254 -6.687 7.326 512 HB VAL 71 HB VAL 71 -6.152 -4.954 4.853 513 1HG1 VAL 71 1HG1 VAL 71 -4.623 -7.162 5.530 514 2HG1 VAL 71 2HG1 VAL 71 -4.862 -6.507 3.910 515 3HG1 VAL 71 3HG1 VAL 71 -5.888 -7.818 4.491 516 1HG2 VAL 71 1HG2 VAL 71 -7.851 -6.606 3.988 517 2HG2 VAL 71 2HG2 VAL 71 -8.435 -5.477 5.210 518 3HG2 VAL 71 3HG2 VAL 71 -8.057 -7.140 5.656 519 H GLU 72 H GLU 72 -4.054 -7.033 7.432 520 HA GLU 72 HA GLU 72 -2.374 -4.617 7.589 521 1HB GLU 72 2HB GLU 72 -1.055 -5.672 9.323 522 2HB GLU 72 1HB GLU 72 -2.744 -5.650 9.804 523 1HG GLU 72 2HG GLU 72 -1.364 -8.037 8.603 524 2HG GLU 72 1HG GLU 72 -1.544 -7.756 10.333 525 H ILE 73 H ILE 73 -0.586 -4.558 6.371 526 HA ILE 73 HA ILE 73 0.398 -7.070 5.200 527 HB ILE 73 HB ILE 73 0.052 -4.478 3.684 528 1HG1 ILE 73 2HG1 ILE 73 -1.519 -5.885 2.279 529 2HG1 ILE 73 1HG1 ILE 73 -1.453 -7.093 3.558 530 1HG2 ILE 73 1HG2 ILE 73 0.634 -6.081 1.736 531 2HG2 ILE 73 2HG2 ILE 73 1.338 -7.089 3.002 532 3HG2 ILE 73 3HG2 ILE 73 1.934 -5.449 2.748 533 1HD1 ILE 73 1HD1 ILE 73 -2.978 -6.007 4.747 534 2HD1 ILE 73 2HD1 ILE 73 -3.204 -4.940 3.361 535 3HD1 ILE 73 3HD1 ILE 73 -2.074 -4.498 4.640 536 H ASP 74 H ASP 74 2.624 -7.159 4.865 537 HA ASP 74 HA ASP 74 4.122 -5.000 6.178 538 1HB ASP 74 2HB ASP 74 4.900 -7.885 5.709 539 2HB ASP 74 1HB ASP 74 5.897 -6.684 6.524 540 H GLY 75 H GLY 75 4.643 -3.592 4.597 541 1HA GLY 75 2HA GLY 75 5.718 -4.573 2.066 542 2HA GLY 75 1HA GLY 75 5.308 -2.907 2.444 543 H ARG 76 H ARG 76 6.871 -3.578 5.100 544 HA ARG 76 HA ARG 76 9.371 -2.591 4.062 545 1HB ARG 76 2HB ARG 76 9.941 -2.117 6.391 546 2HB ARG 76 1HB ARG 76 8.380 -1.431 5.965 547 1HG ARG 76 2HG ARG 76 7.232 -3.214 7.103 548 2HG ARG 76 1HG ARG 76 8.760 -4.036 7.424 549 1HD ARG 76 2HD ARG 76 9.487 -2.128 8.785 550 2HD ARG 76 1HD ARG 76 7.946 -1.328 8.475 551 HE ARG 76 HE ARG 76 7.376 -3.821 9.561 552 1HH1 ARG 76 1HH1 ARG 76 8.980 -0.878 10.532 553 2HH1 ARG 76 2HH1 ARG 76 8.585 -1.068 12.207 554 1HH2 ARG 76 1HH2 ARG 76 6.856 -4.073 11.764 555 2HH2 ARG 76 2HH2 ARG 76 7.380 -2.882 12.907 556 H ALA 77 H ALA 77 8.113 -5.345 5.776 557 HA ALA 77 HA ALA 77 10.750 -6.564 5.854 558 1HB ALA 77 1HB ALA 77 9.282 -8.329 7.199 559 2HB ALA 77 2HB ALA 77 8.275 -6.898 7.423 560 3HB ALA 77 3HB ALA 77 9.959 -6.881 7.944 561 H LEU 78 H LEU 78 8.185 -6.564 3.743 562 HA LEU 78 HA LEU 78 8.907 -9.266 2.822 563 1HB LEU 78 2HB LEU 78 6.136 -8.089 2.669 564 2HB LEU 78 1HB LEU 78 6.624 -9.685 2.140 565 HG LEU 78 HG LEU 78 6.571 -8.705 4.996 566 1HD1 LEU 78 1HD1 LEU 78 4.800 -10.389 5.263 567 2HD1 LEU 78 2HD1 LEU 78 4.851 -10.700 3.528 568 3HD1 LEU 78 3HD1 LEU 78 4.350 -9.118 4.127 569 1HD2 LEU 78 1HD2 LEU 78 8.160 -10.255 5.294 570 2HD2 LEU 78 2HD2 LEU 78 7.872 -10.998 3.720 571 3HD2 LEU 78 3HD2 LEU 78 6.847 -11.414 5.093 572 H VAL 79 H VAL 79 10.171 -7.002 1.855 573 HA VAL 79 HA VAL 79 8.910 -6.033 -0.509 574 HB VAL 79 HB VAL 79 10.604 -4.693 0.632 575 1HG1 VAL 79 1HG1 VAL 79 12.711 -5.357 1.100 576 2HG1 VAL 79 2HG1 VAL 79 12.859 -6.304 -0.380 577 3HG1 VAL 79 3HG1 VAL 79 11.985 -6.962 1.004 578 1HG2 VAL 79 1HG2 VAL 79 12.030 -5.198 -1.885 579 2HG2 VAL 79 2HG2 VAL 79 11.282 -3.720 -1.279 580 3HG2 VAL 79 3HG2 VAL 79 10.290 -4.955 -2.054 581 H ALA 80 H ALA 80 8.386 -7.571 -1.978 582 HA ALA 80 HA ALA 80 10.498 -9.435 -2.832 583 1HB ALA 80 1HB ALA 80 8.807 -10.857 -2.307 584 2HB ALA 80 2HB ALA 80 8.336 -10.499 -3.968 585 3HB ALA 80 3HB ALA 80 7.551 -9.661 -2.629 586 H ARG 81 H ARG 81 11.574 -8.552 -4.489 587 HA ARG 81 HA ARG 81 9.991 -7.382 -6.682 588 1HB ARG 81 2HB ARG 81 12.848 -6.756 -5.913 589 2HB ARG 81 1HB ARG 81 11.951 -6.020 -7.235 590 1HG ARG 81 2HG ARG 81 10.371 -5.070 -5.624 591 2HG ARG 81 1HG ARG 81 11.297 -5.788 -4.305 592 1HD ARG 81 2HD ARG 81 11.879 -3.438 -4.588 593 2HD ARG 81 1HD ARG 81 13.257 -4.474 -4.968 594 HE ARG 81 HE ARG 81 11.864 -3.942 -7.337 595 1HH1 ARG 81 1HH1 ARG 81 13.802 -2.269 -4.965 596 2HH1 ARG 81 2HH1 ARG 81 14.384 -1.088 -6.089 597 1HH2 ARG 81 1HH2 ARG 81 12.629 -2.387 -8.818 598 2HH2 ARG 81 2HH2 ARG 81 13.717 -1.155 -8.277 599 HA PRO 82 HA PRO 82 11.675 -10.672 -9.144 600 1HB PRO 82 2HB PRO 82 10.897 -9.852 -11.574 601 2HB PRO 82 1HB PRO 82 9.727 -10.400 -10.366 602 1HG PRO 82 2HG PRO 82 10.476 -7.610 -11.149 603 2HG PRO 82 1HG PRO 82 8.871 -8.287 -10.820 604 1HD PRO 82 2HD PRO 82 10.319 -6.820 -9.008 605 2HD PRO 82 1HD PRO 82 9.092 -8.020 -8.559 606 H GLU 83 H GLU 83 12.662 -7.392 -9.439 607 HA GLU 83 HA GLU 83 14.750 -7.990 -11.374 608 1HB GLU 83 2HB GLU 83 14.061 -5.408 -9.962 609 2HB GLU 83 1HB GLU 83 15.266 -5.581 -11.231 610 1HG GLU 83 2HG GLU 83 13.523 -6.254 -12.800 611 2HG GLU 83 1HG GLU 83 12.313 -6.086 -11.527 612 H GLU 84 H GLU 84 14.334 -7.648 -7.973 613 HA GLU 84 HA GLU 84 17.228 -7.523 -7.535 614 1HB GLU 84 2HB GLU 84 15.866 -5.925 -6.276 615 2HB GLU 84 1HB GLU 84 14.936 -7.244 -5.583 616 1HG GLU 84 2HG GLU 84 16.540 -6.430 -3.983 617 2HG GLU 84 1HG GLU 84 16.956 -8.072 -4.471 618 H ARG 85 H ARG 85 14.608 -9.719 -7.532 619 HA ARG 85 HA ARG 85 14.452 -11.939 -7.084 620 1HB ARG 85 2HB ARG 85 17.462 -11.773 -6.836 621 2HB ARG 85 1HB ARG 85 16.530 -13.259 -6.953 622 1HG ARG 85 2HG ARG 85 15.767 -12.607 -9.181 623 2HG ARG 85 1HG ARG 85 16.703 -11.117 -9.062 624 1HD ARG 85 2HD ARG 85 17.818 -13.919 -8.990 625 2HD ARG 85 1HD ARG 85 17.890 -12.813 -10.361 626 HE ARG 85 HE ARG 85 19.044 -11.551 -8.149 627 1HH1 ARG 85 1HH1 ARG 85 19.663 -14.242 -10.282 628 2HH1 ARG 85 2HH1 ARG 85 21.383 -14.143 -10.112 629 1HH2 ARG 85 1HH2 ARG 85 21.307 -11.419 -7.924 630 2HH2 ARG 85 2HH2 ARG 85 22.317 -12.541 -8.772 631 H ILE 86 H ILE 86 13.466 -10.899 -5.079 632 HA ILE 86 HA ILE 86 14.942 -11.794 -2.688 633 HB ILE 86 HB ILE 86 12.837 -9.629 -2.815 634 1HG1 ILE 86 2HG1 ILE 86 15.838 -9.415 -2.479 635 2HG1 ILE 86 1HG1 ILE 86 14.930 -8.944 -3.912 636 1HG2 ILE 86 1HG2 ILE 86 13.612 -11.183 -0.668 637 2HG2 ILE 86 2HG2 ILE 86 12.811 -9.615 -0.583 638 3HG2 ILE 86 3HG2 ILE 86 14.569 -9.715 -0.480 639 1HD1 ILE 86 1HD1 ILE 86 15.429 -7.482 -1.472 640 2HD1 ILE 86 2HD1 ILE 86 13.710 -7.550 -1.860 641 3HD1 ILE 86 3HD1 ILE 86 14.856 -6.910 -3.038 Start of MODEL 15 1 H ARG 9 H ARG 9 -6.467 -16.497 -5.902 2 HA ARG 9 HA ARG 9 -5.575 -13.767 -5.700 3 1HB ARG 9 2HB ARG 9 -7.371 -15.113 -7.725 4 2HB ARG 9 1HB ARG 9 -6.725 -13.483 -7.869 5 1HG ARG 9 2HG ARG 9 -4.458 -14.378 -7.923 6 2HG ARG 9 1HG ARG 9 -5.097 -16.015 -7.760 7 1HD ARG 9 2HD ARG 9 -4.555 -15.499 -10.086 8 2HD ARG 9 1HD ARG 9 -6.283 -15.779 -9.874 9 HE ARG 9 HE ARG 9 -6.634 -13.669 -10.641 10 1HH1 ARG 9 1HH1 ARG 9 -3.379 -13.824 -9.390 11 2HH1 ARG 9 2HH1 ARG 9 -3.011 -12.181 -9.799 12 1HH2 ARG 9 1HH2 ARG 9 -6.150 -11.512 -11.183 13 2HH2 ARG 9 2HH2 ARG 9 -4.583 -10.871 -10.817 14 H HIS 10 H HIS 10 -6.581 -12.585 -4.173 15 HA HIS 10 HA HIS 10 -9.525 -12.491 -4.267 16 1HB HIS 10 2HB HIS 10 -9.423 -11.813 -1.857 17 2HB HIS 10 1HB HIS 10 -8.885 -13.460 -2.171 18 HD1 HIS 10 1HD HIS 10 -7.154 -10.062 -1.987 19 HD2 HIS 10 2HD HIS 10 -6.672 -13.997 -0.742 20 HE1 HIS 10 1HE HIS 10 -5.005 -10.097 -0.681 21 HE2 HIS 10 2HE HIS 10 -4.789 -12.465 0.148 22 H GLU 11 H GLU 11 -6.593 -10.711 -4.478 23 HA GLU 11 HA GLU 11 -6.138 -8.525 -4.904 24 1HB GLU 11 2HB GLU 11 -9.084 -8.417 -5.578 25 2HB GLU 11 1HB GLU 11 -7.901 -7.182 -5.990 26 1HG GLU 11 2HG GLU 11 -6.705 -8.791 -7.384 27 2HG GLU 11 1HG GLU 11 -7.892 -10.028 -6.971 28 H LEU 12 H LEU 12 -6.414 -6.328 -4.104 29 HA LEU 12 HA LEU 12 -7.977 -6.196 -1.612 30 1HB LEU 12 2HB LEU 12 -5.169 -5.194 -2.071 31 2HB LEU 12 1HB LEU 12 -6.136 -4.797 -0.664 32 HG LEU 12 HG LEU 12 -6.232 -7.216 -0.098 33 1HD1 LEU 12 1HD1 LEU 12 -4.108 -8.332 -1.404 34 2HD1 LEU 12 2HD1 LEU 12 -4.884 -7.402 -2.686 35 3HD1 LEU 12 3HD1 LEU 12 -5.804 -8.612 -1.792 36 1HD2 LEU 12 1HD2 LEU 12 -4.639 -6.292 1.211 37 2HD2 LEU 12 2HD2 LEU 12 -3.781 -5.573 -0.151 38 3HD2 LEU 12 3HD2 LEU 12 -3.570 -7.283 0.220 39 H ILE 13 H ILE 13 -8.479 -5.182 -4.380 40 HA ILE 13 HA ILE 13 -8.247 -2.302 -4.090 41 HB ILE 13 HB ILE 13 -9.662 -3.847 -6.267 42 1HG1 ILE 13 2HG1 ILE 13 -6.835 -2.764 -6.183 43 2HG1 ILE 13 1HG1 ILE 13 -7.284 -4.467 -6.143 44 1HG2 ILE 13 1HG2 ILE 13 -8.931 -0.978 -5.853 45 2HG2 ILE 13 2HG2 ILE 13 -10.443 -1.677 -6.432 46 3HG2 ILE 13 3HG2 ILE 13 -9.034 -1.633 -7.489 47 1HD1 ILE 13 1HD1 ILE 13 -6.513 -3.349 -8.364 48 2HD1 ILE 13 2HD1 ILE 13 -8.182 -2.780 -8.425 49 3HD1 ILE 13 3HD1 ILE 13 -7.841 -4.509 -8.364 50 H GLY 14 H GLY 14 -9.947 -0.881 -3.813 51 1HA GLY 14 2HA GLY 14 -12.295 -0.371 -3.666 52 2HA GLY 14 1HA GLY 14 -12.590 -2.054 -3.259 53 H LEU 15 H LEU 15 -9.979 -1.504 -1.507 54 HA LEU 15 HA LEU 15 -11.525 -0.554 0.807 55 1HB LEU 15 2HB LEU 15 -9.783 -1.788 2.154 56 2HB LEU 15 1HB LEU 15 -10.887 -2.779 1.223 57 HG LEU 15 HG LEU 15 -9.155 -3.146 -0.472 58 1HD1 LEU 15 1HD1 LEU 15 -7.566 -1.299 1.279 59 2HD1 LEU 15 2HD1 LEU 15 -7.846 -1.209 -0.460 60 3HD1 LEU 15 3HD1 LEU 15 -6.792 -2.458 0.197 61 1HD2 LEU 15 1HD2 LEU 15 -7.477 -4.307 1.127 62 2HD2 LEU 15 2HD2 LEU 15 -9.156 -4.849 1.089 63 3HD2 LEU 15 3HD2 LEU 15 -8.599 -3.798 2.391 64 H SER 16 H SER 16 -10.165 0.491 2.534 65 HA SER 16 HA SER 16 -8.567 2.571 1.283 66 1HB SER 16 2HB SER 16 -9.450 2.231 4.164 67 2HB SER 16 1HB SER 16 -8.651 3.657 3.499 68 HG SER 16 HG SER 16 -10.440 3.996 2.177 69 H VAL 17 H VAL 17 -6.479 3.214 2.179 70 HA VAL 17 HA VAL 17 -5.018 0.992 3.431 71 HB VAL 17 HB VAL 17 -4.434 0.890 1.111 72 1HG1 VAL 17 1HG1 VAL 17 -5.136 3.046 0.343 73 2HG1 VAL 17 2HG1 VAL 17 -3.428 2.851 -0.052 74 3HG1 VAL 17 3HG1 VAL 17 -3.905 3.850 1.319 75 1HG2 VAL 17 1HG2 VAL 17 -2.111 2.392 2.239 76 2HG2 VAL 17 2HG2 VAL 17 -2.131 0.911 1.285 77 3HG2 VAL 17 3HG2 VAL 17 -2.618 0.875 2.979 78 H ARG 18 H ARG 18 -4.077 1.595 5.251 79 HA ARG 18 HA ARG 18 -3.364 4.433 5.601 80 1HB ARG 18 2HB ARG 18 -4.010 2.416 7.758 81 2HB ARG 18 1HB ARG 18 -3.681 4.126 7.993 82 1HG ARG 18 2HG ARG 18 -5.706 4.638 6.642 83 2HG ARG 18 1HG ARG 18 -6.058 2.907 6.608 84 1HD ARG 18 2HD ARG 18 -5.875 4.673 9.044 85 2HD ARG 18 1HD ARG 18 -7.333 3.946 8.370 86 HE ARG 18 HE ARG 18 -5.560 1.881 8.943 87 1HH1 ARG 18 1HH1 ARG 18 -7.352 4.326 10.670 88 2HH1 ARG 18 2HH1 ARG 18 -7.494 3.379 12.114 89 1HH2 ARG 18 1HH2 ARG 18 -5.745 0.635 10.839 90 2HH2 ARG 18 2HH2 ARG 18 -6.577 1.285 12.210 91 H ILE 19 H ILE 19 -1.270 4.885 5.807 92 HA ILE 19 HA ILE 19 0.632 2.698 6.021 93 HB ILE 19 HB ILE 19 1.164 5.650 5.650 94 1HG1 ILE 19 2HG1 ILE 19 -0.152 4.751 3.794 95 2HG1 ILE 19 1HG1 ILE 19 1.498 5.092 3.277 96 1HG2 ILE 19 1HG2 ILE 19 3.316 4.542 4.623 97 2HG2 ILE 19 2HG2 ILE 19 2.888 3.223 5.712 98 3HG2 ILE 19 3HG2 ILE 19 3.186 4.838 6.357 99 1HD1 ILE 19 1HD1 ILE 19 0.232 2.416 3.805 100 2HD1 ILE 19 2HD1 ILE 19 1.978 2.628 3.682 101 3HD1 ILE 19 3HD1 ILE 19 0.943 3.018 2.305 102 H ALA 20 H ALA 20 1.935 2.290 7.726 103 HA ALA 20 HA ALA 20 1.475 3.867 10.157 104 1HB ALA 20 1HB ALA 20 2.844 1.718 11.037 105 2HB ALA 20 2HB ALA 20 2.055 1.030 9.618 106 3HB ALA 20 3HB ALA 20 1.087 1.770 10.893 107 H ARG 21 H ARG 21 3.867 3.021 7.839 108 HA ARG 21 HA ARG 21 5.695 4.955 8.840 109 1HB ARG 21 2HB ARG 21 6.224 3.059 10.341 110 2HB ARG 21 1HB ARG 21 6.566 2.067 8.934 111 1HG ARG 21 2HG ARG 21 8.627 2.843 9.886 112 2HG ARG 21 1HG ARG 21 8.381 3.609 8.315 113 1HD ARG 21 2HD ARG 21 7.564 5.629 9.421 114 2HD ARG 21 1HD ARG 21 7.783 4.863 10.994 115 HE ARG 21 HE ARG 21 10.217 4.814 9.583 116 1HH1 ARG 21 1HH1 ARG 21 8.086 7.048 11.208 117 2HH1 ARG 21 2HH1 ARG 21 9.351 8.159 11.609 118 1HH2 ARG 21 1HH2 ARG 21 11.883 6.274 10.108 119 2HH2 ARG 21 2HH2 ARG 21 11.507 7.720 10.984 120 H SER 22 H SER 22 7.268 5.491 7.334 121 HA SER 22 HA SER 22 7.312 3.966 4.834 122 1HB SER 22 2HB SER 22 6.783 6.941 4.998 123 2HB SER 22 1HB SER 22 7.064 6.040 3.509 124 HG SER 22 HG SER 22 5.005 5.348 5.315 125 H VAL 23 H VAL 23 9.057 4.691 3.355 126 HA VAL 23 HA VAL 23 11.537 4.733 4.656 127 HB VAL 23 HB VAL 23 11.272 3.889 2.378 128 1HG1 VAL 23 1HG1 VAL 23 10.738 6.773 1.680 129 2HG1 VAL 23 2HG1 VAL 23 9.649 5.399 1.479 130 3HG1 VAL 23 3HG1 VAL 23 11.107 5.522 0.493 131 1HG2 VAL 23 1HG2 VAL 23 13.214 6.154 2.768 132 2HG2 VAL 23 2HG2 VAL 23 13.230 5.138 1.327 133 3HG2 VAL 23 3HG2 VAL 23 13.503 4.421 2.915 134 H HIS 24 H HIS 24 9.520 7.314 3.397 135 HA HIS 24 HA HIS 24 11.484 9.281 4.370 136 1HB HIS 24 2HB HIS 24 9.346 9.602 2.255 137 2HB HIS 24 1HB HIS 24 10.390 10.891 2.836 138 HD1 HIS 24 1HD HIS 24 10.697 10.605 -0.006 139 HD2 HIS 24 2HD HIS 24 12.714 8.052 2.578 140 HE1 HIS 24 1HE HIS 24 12.621 9.683 -1.339 141 HE2 HIS 24 2HE HIS 24 13.768 8.065 0.216 142 H ARG 25 H ARG 25 10.879 10.767 5.860 143 HA ARG 25 HA ARG 25 8.627 10.225 7.465 144 1HB ARG 25 2HB ARG 25 9.285 12.236 8.722 145 2HB ARG 25 1HB ARG 25 10.646 11.167 8.413 146 1HG ARG 25 2HG ARG 25 11.362 12.606 6.575 147 2HG ARG 25 1HG ARG 25 9.993 13.676 6.879 148 1HD ARG 25 2HD ARG 25 12.029 14.563 7.885 149 2HD ARG 25 1HD ARG 25 10.848 14.138 9.122 150 HE ARG 25 HE ARG 25 12.549 11.949 8.729 151 1HH1 ARG 25 1HH1 ARG 25 12.656 15.204 9.987 152 2HH1 ARG 25 2HH1 ARG 25 13.940 14.864 11.099 153 1HH2 ARG 25 1HH2 ARG 25 14.238 11.503 10.191 154 2HH2 ARG 25 2HH2 ARG 25 14.838 12.764 11.215 155 H ASP 26 H ASP 26 9.017 12.281 4.723 156 HA ASP 26 HA ASP 26 6.776 13.953 5.363 157 1HB ASP 26 2HB ASP 26 7.104 14.928 3.132 158 2HB ASP 26 1HB ASP 26 8.606 14.877 4.049 159 H ILE 27 H ILE 27 6.871 10.819 4.479 160 HA ILE 27 HA ILE 27 4.295 11.018 3.128 161 HB ILE 27 HB ILE 27 4.843 9.039 1.773 162 1HG1 ILE 27 2HG1 ILE 27 7.606 9.417 2.944 163 2HG1 ILE 27 1HG1 ILE 27 6.536 8.051 3.227 164 1HG2 ILE 27 1HG2 ILE 27 5.087 11.043 0.611 165 2HG2 ILE 27 2HG2 ILE 27 6.619 10.215 0.337 166 3HG2 ILE 27 3HG2 ILE 27 6.518 11.512 1.527 167 1HD1 ILE 27 1HD1 ILE 27 6.965 7.113 1.197 168 2HD1 ILE 27 2HD1 ILE 27 8.500 7.939 1.471 169 3HD1 ILE 27 3HD1 ILE 27 7.282 8.665 0.422 170 H GLN 28 H GLN 28 6.148 9.624 5.624 171 HA GLN 28 HA GLN 28 4.778 7.196 5.999 172 1HB GLN 28 2HB GLN 28 5.708 7.235 8.269 173 2HB GLN 28 1HB GLN 28 6.924 7.656 7.070 174 1HG GLN 28 2HG GLN 28 6.654 10.015 7.610 175 2HG GLN 28 1HG GLN 28 5.411 9.607 8.792 176 1HE2 GLN 28 1HE2 GLN 28 6.117 9.655 10.789 177 2HE2 GLN 28 2HE2 GLN 28 7.706 9.243 11.326 178 H GLY 29 H GLY 29 3.269 6.653 7.719 179 1HA GLY 29 2HA GLY 29 1.288 6.931 8.846 180 2HA GLY 29 1HA GLY 29 1.830 8.567 9.193 181 H ILE 30 H ILE 30 1.627 7.729 5.873 182 HA ILE 30 HA ILE 30 -0.474 9.645 5.490 183 HB ILE 30 HB ILE 30 1.473 9.519 3.970 184 1HG1 ILE 30 2HG1 ILE 30 -0.643 10.550 3.222 185 2HG1 ILE 30 1HG1 ILE 30 0.251 9.825 1.891 186 1HG2 ILE 30 1HG2 ILE 30 1.833 7.758 2.464 187 2HG2 ILE 30 2HG2 ILE 30 0.266 7.030 2.806 188 3HG2 ILE 30 3HG2 ILE 30 1.540 6.989 4.022 189 1HD1 ILE 30 1HD1 ILE 30 -2.336 8.997 3.117 190 2HD1 ILE 30 2HD1 ILE 30 -1.316 7.774 2.360 191 3HD1 ILE 30 3HD1 ILE 30 -1.888 9.149 1.418 192 H SER 31 H SER 31 -2.524 9.092 5.769 193 HA SER 31 HA SER 31 -3.390 6.357 5.175 194 1HB SER 31 2HB SER 31 -4.047 7.244 7.365 195 2HB SER 31 1HB SER 31 -4.825 8.623 6.589 196 HG SER 31 HG SER 31 -6.312 7.207 5.662 197 H GLY 32 H GLY 32 -4.784 5.887 3.497 198 1HA GLY 32 2HA GLY 32 -6.346 7.919 2.229 199 2HA GLY 32 1HA GLY 32 -4.911 7.534 1.296 200 H ARG 33 H ARG 33 -6.428 6.939 -0.333 201 HA ARG 33 HA ARG 33 -7.710 4.348 0.095 202 1HB ARG 33 2HB ARG 33 -8.582 6.731 -1.173 203 2HB ARG 33 1HB ARG 33 -8.534 5.450 -2.357 204 1HG ARG 33 2HG ARG 33 -9.835 5.009 0.282 205 2HG ARG 33 1HG ARG 33 -10.694 5.834 -1.021 206 1HD ARG 33 2HD ARG 33 -9.476 3.076 -1.156 207 2HD ARG 33 1HD ARG 33 -11.194 3.446 -1.007 208 HE ARG 33 HE ARG 33 -10.287 4.773 -3.262 209 1HH1 ARG 33 1HH1 ARG 33 -10.579 1.472 -2.178 210 2HH1 ARG 33 2HH1 ARG 33 -10.797 0.843 -3.775 211 1HH2 ARG 33 1HH2 ARG 33 -10.578 3.943 -5.358 212 2HH2 ARG 33 2HH2 ARG 33 -10.800 2.240 -5.578 213 H VAL 34 H VAL 34 -7.824 3.023 -2.042 214 HA VAL 34 HA VAL 34 -5.025 2.687 -2.863 215 HB VAL 34 HB VAL 34 -6.097 0.813 -1.702 216 1HG1 VAL 34 1HG1 VAL 34 -7.699 -0.007 -4.016 217 2HG1 VAL 34 2HG1 VAL 34 -8.316 1.396 -3.145 218 3HG1 VAL 34 3HG1 VAL 34 -8.047 -0.123 -2.291 219 1HG2 VAL 34 1HG2 VAL 34 -5.426 0.188 -4.576 220 2HG2 VAL 34 2HG2 VAL 34 -5.360 -0.934 -3.217 221 3HG2 VAL 34 3HG2 VAL 34 -4.250 0.436 -3.286 222 H VAL 35 H VAL 35 -4.410 2.081 -4.992 223 HA VAL 35 HA VAL 35 -6.448 2.315 -7.051 224 HB VAL 35 HB VAL 35 -5.131 4.559 -6.792 225 1HG1 VAL 35 1HG1 VAL 35 -3.185 4.702 -8.226 226 2HG1 VAL 35 2HG1 VAL 35 -3.215 2.958 -8.459 227 3HG1 VAL 35 3HG1 VAL 35 -2.904 3.629 -6.863 228 1HG2 VAL 35 1HG2 VAL 35 -5.602 5.051 -9.050 229 2HG2 VAL 35 2HG2 VAL 35 -6.762 3.808 -8.587 230 3HG2 VAL 35 3HG2 VAL 35 -5.347 3.379 -9.545 231 H ASP 36 H ASP 36 -2.999 1.710 -6.411 232 HA ASP 36 HA ASP 36 -3.146 -0.848 -7.694 233 1HB ASP 36 2HB ASP 36 -2.873 0.598 -9.653 234 2HB ASP 36 1HB ASP 36 -1.445 1.327 -8.928 235 H GLU 37 H GLU 37 -1.120 -2.069 -7.489 236 HA GLU 37 HA GLU 37 0.675 -0.977 -5.423 237 1HB GLU 37 2HB GLU 37 -0.410 -3.797 -5.582 238 2HB GLU 37 1HB GLU 37 0.829 -3.259 -4.456 239 1HG GLU 37 2HG GLU 37 -1.281 -3.356 -3.328 240 2HG GLU 37 1HG GLU 37 -0.783 -1.672 -3.482 241 H THR 38 H THR 38 2.768 -1.006 -5.998 242 HA THR 38 HA THR 38 3.592 -2.886 -8.116 243 HB THR 38 HB THR 38 4.681 -0.107 -7.648 244 HG1 THR 38 1HG THR 38 3.140 0.567 -8.876 245 1HG2 THR 38 1HG2 THR 38 6.182 -1.826 -8.768 246 2HG2 THR 38 2HG2 THR 38 5.894 -0.314 -9.630 247 3HG2 THR 38 3HG2 THR 38 5.035 -1.779 -10.106 248 H ARG 39 H ARG 39 5.746 -3.676 -8.022 249 HA ARG 39 HA ARG 39 6.617 -4.491 -5.516 250 1HB ARG 39 2HB ARG 39 7.994 -4.367 -8.181 251 2HB ARG 39 1HB ARG 39 8.822 -4.968 -6.753 252 1HG ARG 39 2HG ARG 39 7.921 -6.803 -8.037 253 2HG ARG 39 1HG ARG 39 7.095 -6.683 -6.482 254 1HD ARG 39 2HD ARG 39 5.220 -5.556 -7.547 255 2HD ARG 39 1HD ARG 39 6.053 -5.606 -9.100 256 HE ARG 39 HE ARG 39 5.846 -8.219 -8.127 257 1HH1 ARG 39 1HH1 ARG 39 3.783 -5.666 -9.307 258 2HH1 ARG 39 2HH1 ARG 39 2.580 -6.751 -9.919 259 1HH2 ARG 39 1HH2 ARG 39 4.267 -9.647 -8.930 260 2HH2 ARG 39 2HH2 ARG 39 2.853 -9.012 -9.705 261 H ASN 40 H ASN 40 7.256 -1.518 -7.176 262 HA ASN 40 HA ASN 40 9.101 -0.797 -5.004 263 1HB ASN 40 2HB ASN 40 10.376 0.604 -6.561 264 2HB ASN 40 1HB ASN 40 10.403 -1.089 -7.024 265 1HD2 ASN 40 1HD2 ASN 40 7.383 0.091 -7.824 266 2HD2 ASN 40 2HD2 ASN 40 7.696 0.512 -9.461 267 H THR 41 H THR 41 6.093 -0.229 -5.930 268 HA THR 41 HA THR 41 6.091 2.370 -4.702 269 HB THR 41 HB THR 41 4.789 3.428 -6.587 270 HG1 THR 41 1HG THR 41 5.976 1.403 -8.159 271 1HG2 THR 41 1HG2 THR 41 6.681 4.154 -7.812 272 2HG2 THR 41 2HG2 THR 41 7.607 2.729 -7.342 273 3HG2 THR 41 3HG2 THR 41 7.174 3.938 -6.133 274 H LEU 42 H LEU 42 3.935 3.249 -4.423 275 HA LEU 42 HA LEU 42 1.756 1.296 -4.536 276 1HB LEU 42 2HB LEU 42 2.809 1.067 -2.334 277 2HB LEU 42 1HB LEU 42 2.626 2.781 -2.051 278 HG LEU 42 HG LEU 42 0.990 1.443 -0.805 279 1HD1 LEU 42 1HD1 LEU 42 0.529 3.783 -1.872 280 2HD1 LEU 42 2HD1 LEU 42 -0.789 2.873 -1.130 281 3HD1 LEU 42 3HD1 LEU 42 -0.602 2.885 -2.884 282 1HD2 LEU 42 1HD2 LEU 42 0.186 -0.388 -1.804 283 2HD2 LEU 42 2HD2 LEU 42 0.630 0.193 -3.409 284 3HD2 LEU 42 3HD2 LEU 42 -0.899 0.689 -2.685 285 H ARG 43 H ARG 43 0.308 2.367 -5.771 286 HA ARG 43 HA ARG 43 0.086 5.255 -5.412 287 1HB ARG 43 2HB ARG 43 0.412 4.201 -7.681 288 2HB ARG 43 1HB ARG 43 -1.217 3.573 -7.546 289 1HG ARG 43 2HG ARG 43 -2.081 5.860 -7.386 290 2HG ARG 43 1HG ARG 43 -0.434 6.480 -7.512 291 1HD ARG 43 2HD ARG 43 -0.210 5.459 -9.720 292 2HD ARG 43 1HD ARG 43 -1.849 4.825 -9.602 293 HE ARG 43 HE ARG 43 -1.915 7.611 -9.251 294 1HH1 ARG 43 1HH1 ARG 43 -1.329 5.227 -11.734 295 2HH1 ARG 43 2HH1 ARG 43 -1.835 6.264 -13.024 296 1HH2 ARG 43 1HH2 ARG 43 -2.579 8.976 -10.951 297 2HH2 ARG 43 2HH2 ARG 43 -2.548 8.391 -12.582 298 H ILE 44 H ILE 44 -1.631 6.231 -4.599 299 HA ILE 44 HA ILE 44 -3.751 4.565 -3.439 300 HB ILE 44 HB ILE 44 -2.515 7.196 -2.693 301 1HG1 ILE 44 2HG1 ILE 44 -2.988 4.644 -1.149 302 2HG1 ILE 44 1HG1 ILE 44 -1.463 5.146 -1.874 303 1HG2 ILE 44 1HG2 ILE 44 -4.524 6.549 -0.789 304 2HG2 ILE 44 2HG2 ILE 44 -5.268 6.687 -2.379 305 3HG2 ILE 44 3HG2 ILE 44 -4.318 8.020 -1.736 306 1HD1 ILE 44 1HD1 ILE 44 -1.998 7.288 -0.326 307 2HD1 ILE 44 2HD1 ILE 44 -1.038 5.901 0.193 308 3HD1 ILE 44 3HD1 ILE 44 -2.747 6.003 0.623 309 H GLU 45 H GLU 45 -5.747 4.630 -4.339 310 HA GLU 45 HA GLU 45 -6.570 7.193 -5.504 311 1HB GLU 45 2HB GLU 45 -6.366 5.780 -7.385 312 2HB GLU 45 1HB GLU 45 -7.140 4.430 -6.568 313 1HG GLU 45 2HG GLU 45 -9.258 5.656 -6.581 314 2HG GLU 45 1HG GLU 45 -8.468 7.003 -7.400 315 H MET 46 H MET 46 -8.419 7.969 -4.932 316 HA MET 46 HA MET 46 -9.948 6.669 -2.804 317 1HB MET 46 2HB MET 46 -9.697 9.528 -3.734 318 2HB MET 46 1HB MET 46 -10.913 9.021 -2.577 319 1HG MET 46 2HG MET 46 -8.936 10.048 -1.543 320 2HG MET 46 1HG MET 46 -9.236 8.408 -0.984 321 1HE MET 46 1HE MET 46 -6.661 9.558 -4.335 322 2HE MET 46 2HE MET 46 -5.847 10.357 -2.993 323 3HE MET 46 3HE MET 46 -7.553 10.676 -3.307 324 H ASP 47 H ASP 47 -12.033 6.098 -3.055 325 HA ASP 47 HA ASP 47 -13.194 5.561 -5.454 326 1HB ASP 47 2HB ASP 47 -14.635 6.312 -2.907 327 2HB ASP 47 1HB ASP 47 -15.358 5.461 -4.269 328 H ASP 48 H ASP 48 -13.119 8.622 -3.835 329 HA ASP 48 HA ASP 48 -15.212 9.907 -5.208 330 1HB ASP 48 2HB ASP 48 -12.691 11.089 -4.028 331 2HB ASP 48 1HB ASP 48 -14.112 12.007 -4.514 332 H GLY 49 H GLY 49 -12.225 8.786 -6.334 333 1HA GLY 49 2HA GLY 49 -11.734 8.773 -8.664 334 2HA GLY 49 1HA GLY 49 -12.580 10.306 -8.818 335 H ARG 50 H ARG 50 -10.407 9.831 -6.176 336 HA ARG 50 HA ARG 50 -8.547 11.743 -7.429 337 1HB ARG 50 2HB ARG 50 -8.968 11.072 -4.514 338 2HB ARG 50 1HB ARG 50 -7.788 12.223 -5.120 339 1HG ARG 50 2HG ARG 50 -9.592 13.598 -6.024 340 2HG ARG 50 1HG ARG 50 -10.776 12.438 -5.419 341 1HD ARG 50 2HD ARG 50 -10.012 12.855 -3.129 342 2HD ARG 50 1HD ARG 50 -8.833 14.018 -3.735 343 HE ARG 50 HE ARG 50 -11.571 14.504 -3.225 344 1HH1 ARG 50 1HH1 ARG 50 -9.007 15.322 -5.450 345 2HH1 ARG 50 2HH1 ARG 50 -9.736 16.815 -5.936 346 1HH2 ARG 50 1HH2 ARG 50 -12.526 16.473 -3.858 347 2HH2 ARG 50 2HH2 ARG 50 -11.730 17.471 -5.030 348 H GLU 51 H GLU 51 -6.272 11.413 -7.248 349 HA GLU 51 HA GLU 51 -5.447 8.710 -6.484 350 1HB GLU 51 2HB GLU 51 -4.319 8.329 -8.520 351 2HB GLU 51 1HB GLU 51 -5.901 8.955 -8.958 352 1HG GLU 51 2HG GLU 51 -3.341 10.531 -8.917 353 2HG GLU 51 1HG GLU 51 -4.152 9.903 -10.349 354 H ILE 52 H ILE 52 -3.358 8.508 -5.717 355 HA ILE 52 HA ILE 52 -1.484 10.702 -5.835 356 HB ILE 52 HB ILE 52 -2.911 11.424 -3.979 357 1HG1 ILE 52 2HG1 ILE 52 -0.192 10.431 -3.090 358 2HG1 ILE 52 1HG1 ILE 52 -0.514 11.954 -3.917 359 1HG2 ILE 52 1HG2 ILE 52 -3.433 10.159 -2.135 360 2HG2 ILE 52 2HG2 ILE 52 -2.034 9.101 -2.329 361 3HG2 ILE 52 3HG2 ILE 52 -3.424 8.929 -3.401 362 1HD1 ILE 52 1HD1 ILE 52 -1.517 11.193 -1.172 363 2HD1 ILE 52 2HD1 ILE 52 -1.830 12.718 -1.997 364 3HD1 ILE 52 3HD1 ILE 52 -0.184 12.297 -1.520 365 H THR 53 H THR 53 0.394 9.720 -6.228 366 HA THR 53 HA THR 53 0.825 6.957 -5.642 367 HB THR 53 HB THR 53 1.743 7.939 -7.657 368 HG1 THR 53 1HG THR 53 2.942 6.241 -6.908 369 1HG2 THR 53 1HG2 THR 53 3.689 9.443 -7.558 370 2HG2 THR 53 2HG2 THR 53 3.425 9.629 -5.825 371 3HG2 THR 53 3HG2 THR 53 2.205 10.192 -6.968 372 H VAL 54 H VAL 54 2.323 5.992 -4.290 373 HA VAL 54 HA VAL 54 3.865 7.587 -2.425 374 HB VAL 54 HB VAL 54 1.766 5.671 -1.394 375 1HG1 VAL 54 1HG1 VAL 54 2.470 6.418 0.823 376 2HG1 VAL 54 2HG1 VAL 54 3.705 7.445 0.095 377 3HG1 VAL 54 3HG1 VAL 54 3.820 5.692 -0.052 378 1HG2 VAL 54 1HG2 VAL 54 0.754 7.701 -0.387 379 2HG2 VAL 54 2HG2 VAL 54 0.717 7.709 -2.151 380 3HG2 VAL 54 3HG2 VAL 54 1.907 8.684 -1.288 381 HA PRO 55 HA PRO 55 6.381 3.934 -3.014 382 1HB PRO 55 2HB PRO 55 8.294 4.881 -1.097 383 2HB PRO 55 1HB PRO 55 8.383 4.957 -2.856 384 1HG PRO 55 2HG PRO 55 8.127 7.147 -1.201 385 2HG PRO 55 1HG PRO 55 7.675 7.118 -2.913 386 1HD PRO 55 2HD PRO 55 5.945 6.871 -0.487 387 2HD PRO 55 1HD PRO 55 5.629 7.704 -2.026 388 H LYS 56 H LYS 56 5.594 2.080 -2.118 389 HA LYS 56 HA LYS 56 5.547 1.857 0.807 390 1HB LYS 56 2HB LYS 56 4.008 0.090 0.616 391 2HB LYS 56 1HB LYS 56 3.487 1.288 -0.557 392 1HG LYS 56 2HG LYS 56 4.407 -0.009 -2.366 393 2HG LYS 56 1HG LYS 56 5.122 -1.153 -1.229 394 1HD LYS 56 2HD LYS 56 2.881 -1.774 -0.453 395 2HD LYS 56 1HD LYS 56 2.171 -0.645 -1.606 396 1HE LYS 56 2HE LYS 56 3.894 -3.014 -2.320 397 2HE LYS 56 1HE LYS 56 2.133 -2.978 -2.403 398 1HZ LYS 56 1HZ LYS 56 3.922 -1.165 -3.926 399 2HZ LYS 56 2HZ LYS 56 2.241 -1.279 -4.070 400 3HZ LYS 56 3HZ LYS 56 3.220 -2.569 -4.555 401 H GLY 57 H GLY 57 7.661 1.164 -1.636 402 1HA GLY 57 2HA GLY 57 8.475 -1.443 -1.356 403 2HA GLY 57 1HA GLY 57 9.585 -0.112 -1.651 404 H ILE 58 H ILE 58 8.731 1.086 0.976 405 HA ILE 58 HA ILE 58 9.792 -0.783 2.901 406 HB ILE 58 HB ILE 58 11.008 1.962 2.582 407 1HG1 ILE 58 2HG1 ILE 58 13.118 0.595 2.058 408 2HG1 ILE 58 1HG1 ILE 58 12.027 -0.758 1.765 409 1HG2 ILE 58 1HG2 ILE 58 10.786 0.673 4.874 410 2HG2 ILE 58 2HG2 ILE 58 12.239 1.583 4.465 411 3HG2 ILE 58 3HG2 ILE 58 12.211 -0.170 4.270 412 1HD1 ILE 58 1HD1 ILE 58 11.043 1.455 0.312 413 2HD1 ILE 58 2HD1 ILE 58 11.734 -0.048 -0.302 414 3HD1 ILE 58 3HD1 ILE 58 12.778 1.339 0.014 415 H ALA 59 H ALA 59 7.261 -0.280 2.961 416 HA ALA 59 HA ALA 59 6.950 1.625 5.146 417 1HB ALA 59 1HB ALA 59 5.109 2.784 4.151 418 2HB ALA 59 2HB ALA 59 5.132 1.708 2.753 419 3HB ALA 59 3HB ALA 59 6.472 2.825 3.031 420 H VAL 60 H VAL 60 5.981 0.624 6.785 421 HA VAL 60 HA VAL 60 4.357 -1.723 6.397 422 HB VAL 60 HB VAL 60 5.727 -1.523 8.420 423 1HG1 VAL 60 1HG1 VAL 60 4.878 1.101 8.457 424 2HG1 VAL 60 2HG1 VAL 60 5.782 0.284 9.732 425 3HG1 VAL 60 3HG1 VAL 60 4.022 0.375 9.818 426 1HG2 VAL 60 1HG2 VAL 60 3.829 -2.949 8.620 427 2HG2 VAL 60 2HG2 VAL 60 2.744 -1.579 8.861 428 3HG2 VAL 60 3HG2 VAL 60 3.921 -2.003 10.105 429 H PHE 61 H PHE 61 2.126 -1.855 6.410 430 HA PHE 61 HA PHE 61 0.571 0.447 7.219 431 1HB PHE 61 2HB PHE 61 -0.573 0.655 5.023 432 2HB PHE 61 1HB PHE 61 1.125 1.113 4.973 433 HD1 PHE 61 1HD PHE 61 -1.006 -1.910 4.447 434 HD2 PHE 61 2HD PHE 61 2.383 0.354 3.225 435 HE1 PHE 61 1HE PHE 61 -0.629 -3.481 2.594 436 HE2 PHE 61 2HE PHE 61 2.764 -1.212 1.370 437 HZ PHE 61 HZ PHE 61 1.256 -3.132 1.050 438 H HIS 62 H HIS 62 -1.741 0.076 7.123 439 HA HIS 62 HA HIS 62 -2.431 -2.787 7.213 440 1HB HIS 62 2HB HIS 62 -3.510 -0.586 8.990 441 2HB HIS 62 1HB HIS 62 -3.956 -2.287 9.063 442 HD1 HIS 62 1HD HIS 62 -1.594 -3.856 9.414 443 HD2 HIS 62 2HD HIS 62 -1.730 0.019 10.905 444 HE1 HIS 62 1HE HIS 62 0.189 -3.753 11.184 445 HE2 HIS 62 2HE HIS 62 0.142 -1.377 12.016 446 H PHE 63 H PHE 63 -4.074 -3.371 5.930 447 HA PHE 63 HA PHE 63 -5.535 -1.283 4.511 448 1HB PHE 63 2HB PHE 63 -5.080 -4.209 4.051 449 2HB PHE 63 1HB PHE 63 -6.423 -3.399 3.255 450 HD1 PHE 63 1HD PHE 63 -5.548 -3.814 1.058 451 HD2 PHE 63 2HD PHE 63 -3.273 -1.647 3.928 452 HE1 PHE 63 1HE PHE 63 -4.045 -3.041 -0.726 453 HE2 PHE 63 2HE PHE 63 -1.765 -0.869 2.145 454 HZ PHE 63 HZ PHE 63 -2.149 -1.566 -0.184 455 H ARG 64 H ARG 64 -7.538 -0.717 4.961 456 HA ARG 64 HA ARG 64 -9.103 -2.403 6.790 457 1HB ARG 64 2HB ARG 64 -9.139 0.549 6.205 458 2HB ARG 64 1HB ARG 64 -10.487 -0.240 7.010 459 1HG ARG 64 2HG ARG 64 -7.647 -0.255 8.005 460 2HG ARG 64 1HG ARG 64 -8.915 0.836 8.568 461 1HD ARG 64 2HD ARG 64 -10.254 -1.238 9.140 462 2HD ARG 64 1HD ARG 64 -8.776 -2.156 8.853 463 HE ARG 64 HE ARG 64 -8.088 -1.526 10.925 464 1HH1 ARG 64 1HH1 ARG 64 -10.390 0.843 9.793 465 2HH1 ARG 64 2HH1 ARG 64 -10.333 1.776 11.249 466 1HH2 ARG 64 1HH2 ARG 64 -8.019 -0.301 12.844 467 2HH2 ARG 64 2HH2 ARG 64 -8.988 1.128 12.980 468 H THR 65 H THR 65 -10.651 -3.593 5.887 469 HA THR 65 HA THR 65 -11.624 -2.987 3.233 470 HB THR 65 HB THR 65 -12.456 -5.185 5.134 471 HG1 THR 65 1HG THR 65 -10.613 -5.250 2.980 472 1HG2 THR 65 1HG2 THR 65 -13.921 -4.535 3.067 473 2HG2 THR 65 2HG2 THR 65 -13.584 -6.224 3.448 474 3HG2 THR 65 3HG2 THR 65 -12.669 -5.405 2.181 475 HA PRO 66 HA PRO 66 -15.109 -0.463 4.233 476 1HB PRO 66 2HB PRO 66 -16.902 -1.775 2.484 477 2HB PRO 66 1HB PRO 66 -15.939 -0.338 2.136 478 1HG PRO 66 2HG PRO 66 -15.405 -3.186 1.469 479 2HG PRO 66 1HG PRO 66 -14.977 -1.717 0.571 480 1HD PRO 66 2HD PRO 66 -13.133 -3.092 1.931 481 2HD PRO 66 1HD PRO 66 -13.100 -1.316 1.884 482 H GLN 67 H GLN 67 -15.601 -3.968 3.999 483 HA GLN 67 HA GLN 67 -18.016 -4.078 5.431 484 1HB GLN 67 2HB GLN 67 -15.843 -6.167 5.202 485 2HB GLN 67 1HB GLN 67 -17.478 -6.464 5.776 486 1HG GLN 67 2HG GLN 67 -16.716 -5.533 3.017 487 2HG GLN 67 1HG GLN 67 -17.198 -7.168 3.466 488 1HE2 GLN 67 1HE2 GLN 67 -19.206 -7.633 2.979 489 2HE2 GLN 67 2HE2 GLN 67 -20.534 -6.529 2.932 490 H GLY 68 H GLY 68 -14.848 -3.393 6.475 491 1HA GLY 68 2HA GLY 68 -14.488 -2.500 8.668 492 2HA GLY 68 1HA GLY 68 -15.743 -3.574 9.268 493 H GLU 69 H GLU 69 -12.867 -4.169 7.255 494 HA GLU 69 HA GLU 69 -12.039 -6.176 9.257 495 1HB GLU 69 2HB GLU 69 -11.395 -6.147 6.305 496 2HB GLU 69 1HB GLU 69 -10.951 -7.399 7.454 497 1HG GLU 69 2HG GLU 69 -13.751 -6.664 6.631 498 2HG GLU 69 1HG GLU 69 -12.847 -8.082 6.104 499 H LEU 70 H LEU 70 -9.756 -6.487 9.582 500 HA LEU 70 HA LEU 70 -8.150 -4.107 8.925 501 1HB LEU 70 2HB LEU 70 -8.772 -4.007 11.256 502 2HB LEU 70 1HB LEU 70 -8.239 -5.656 11.512 503 HG LEU 70 HG LEU 70 -6.710 -3.860 12.400 504 1HD1 LEU 70 1HD1 LEU 70 -6.124 -6.303 11.549 505 2HD1 LEU 70 2HD1 LEU 70 -4.881 -5.190 12.119 506 3HD1 LEU 70 3HD1 LEU 70 -5.155 -5.394 10.389 507 1HD2 LEU 70 1HD2 LEU 70 -7.034 -2.777 9.862 508 2HD2 LEU 70 2HD2 LEU 70 -5.392 -3.420 9.857 509 3HD2 LEU 70 3HD2 LEU 70 -5.880 -2.258 11.090 510 H VAL 71 H VAL 71 -6.694 -4.724 7.479 511 HA VAL 71 HA VAL 71 -5.396 -7.347 7.797 512 HB VAL 71 HB VAL 71 -5.504 -5.598 5.334 513 1HG1 VAL 71 1HG1 VAL 71 -4.429 -8.380 5.769 514 2HG1 VAL 71 2HG1 VAL 71 -3.510 -6.938 5.337 515 3HG1 VAL 71 3HG1 VAL 71 -4.655 -7.632 4.188 516 1HG2 VAL 71 1HG2 VAL 71 -7.701 -6.464 5.817 517 2HG2 VAL 71 2HG2 VAL 71 -7.050 -8.087 6.044 518 3HG2 VAL 71 3HG2 VAL 71 -7.020 -7.342 4.446 519 H GLU 72 H GLU 72 -3.084 -7.473 7.404 520 HA GLU 72 HA GLU 72 -1.672 -4.922 7.777 521 1HB GLU 72 2HB GLU 72 -1.840 -5.976 9.960 522 2HB GLU 72 1HB GLU 72 -1.188 -7.476 9.317 523 1HG GLU 72 2HG GLU 72 0.937 -6.374 8.871 524 2HG GLU 72 1HG GLU 72 0.284 -4.855 9.481 525 H ILE 73 H ILE 73 0.146 -4.658 6.626 526 HA ILE 73 HA ILE 73 1.525 -6.946 5.482 527 HB ILE 73 HB ILE 73 0.394 -4.770 3.719 528 1HG1 ILE 73 2HG1 ILE 73 -0.256 -7.720 3.883 529 2HG1 ILE 73 1HG1 ILE 73 -1.304 -6.401 4.400 530 1HG2 ILE 73 1HG2 ILE 73 1.385 -5.989 1.868 531 2HG2 ILE 73 2HG2 ILE 73 2.045 -7.184 2.986 532 3HG2 ILE 73 3HG2 ILE 73 2.627 -5.520 3.028 533 1HD1 ILE 73 1HD1 ILE 73 -1.455 -5.614 2.095 534 2HD1 ILE 73 2HD1 ILE 73 -1.984 -7.290 2.237 535 3HD1 ILE 73 3HD1 ILE 73 -0.391 -6.921 1.576 536 H ASP 74 H ASP 74 3.598 -6.596 5.890 537 HA ASP 74 HA ASP 74 4.552 -3.975 6.550 538 1HB ASP 74 2HB ASP 74 6.762 -5.187 6.828 539 2HB ASP 74 1HB ASP 74 5.440 -5.737 7.852 540 H GLY 75 H GLY 75 4.680 -2.604 4.870 541 1HA GLY 75 2HA GLY 75 5.500 -3.267 2.257 542 2HA GLY 75 1HA GLY 75 5.439 -1.647 2.927 543 H ARG 76 H ARG 76 7.326 -2.955 5.104 544 HA ARG 76 HA ARG 76 9.737 -2.277 3.651 545 1HB ARG 76 2HB ARG 76 9.333 -1.013 5.695 546 2HB ARG 76 1HB ARG 76 9.250 -2.502 6.616 547 1HG ARG 76 2HG ARG 76 11.720 -1.930 5.065 548 2HG ARG 76 1HG ARG 76 11.428 -1.029 6.551 549 1HD ARG 76 2HD ARG 76 11.348 -4.039 6.418 550 2HD ARG 76 1HD ARG 76 12.818 -3.135 6.759 551 HE ARG 76 HE ARG 76 11.990 -2.591 8.849 552 1HH1 ARG 76 1HH1 ARG 76 9.583 -4.350 7.031 553 2HH1 ARG 76 2HH1 ARG 76 8.515 -4.523 8.380 554 1HH2 ARG 76 1HH2 ARG 76 10.589 -2.827 10.619 555 2HH2 ARG 76 2HH2 ARG 76 9.084 -3.661 10.415 556 H ALA 77 H ALA 77 8.201 -4.891 5.299 557 HA ALA 77 HA ALA 77 10.571 -6.552 5.012 558 1HB ALA 77 1HB ALA 77 8.723 -8.113 6.296 559 2HB ALA 77 2HB ALA 77 8.345 -6.492 6.881 560 3HB ALA 77 3HB ALA 77 9.971 -7.142 7.076 561 H LEU 78 H LEU 78 7.921 -5.805 3.199 562 HA LEU 78 HA LEU 78 7.789 -8.513 2.043 563 1HB LEU 78 2HB LEU 78 5.691 -7.305 3.095 564 2HB LEU 78 1HB LEU 78 5.660 -6.476 1.553 565 HG LEU 78 HG LEU 78 4.140 -8.348 1.487 566 1HD1 LEU 78 1HD1 LEU 78 6.629 -8.908 -0.115 567 2HD1 LEU 78 2HD1 LEU 78 5.292 -7.857 -0.585 568 3HD1 LEU 78 3HD1 LEU 78 5.035 -9.595 -0.427 569 1HD2 LEU 78 1HD2 LEU 78 4.936 -10.655 1.751 570 2HD2 LEU 78 2HD2 LEU 78 5.116 -9.715 3.232 571 3HD2 LEU 78 3HD2 LEU 78 6.523 -10.042 2.220 572 H VAL 79 H VAL 79 9.838 -6.736 1.362 573 HA VAL 79 HA VAL 79 9.154 -5.359 -1.054 574 HB VAL 79 HB VAL 79 11.899 -6.014 0.014 575 1HG1 VAL 79 1HG1 VAL 79 11.514 -3.581 -1.563 576 2HG1 VAL 79 2HG1 VAL 79 11.218 -5.068 -2.463 577 3HG1 VAL 79 3HG1 VAL 79 12.770 -4.815 -1.664 578 1HG2 VAL 79 1HG2 VAL 79 9.912 -3.966 0.767 579 2HG2 VAL 79 2HG2 VAL 79 11.574 -3.408 0.576 580 3HG2 VAL 79 3HG2 VAL 79 11.202 -4.701 1.718 581 H ALA 80 H ALA 80 8.491 -6.677 -2.672 582 HA ALA 80 HA ALA 80 10.222 -8.947 -3.390 583 1HB ALA 80 1HB ALA 80 7.311 -8.535 -3.457 584 2HB ALA 80 2HB ALA 80 8.246 -10.017 -3.261 585 3HB ALA 80 3HB ALA 80 7.990 -9.343 -4.870 586 H ARG 81 H ARG 81 11.402 -8.801 -5.192 587 HA ARG 81 HA ARG 81 10.950 -6.530 -6.966 588 1HB ARG 81 2HB ARG 81 13.257 -8.428 -6.592 589 2HB ARG 81 1HB ARG 81 13.173 -7.335 -7.965 590 1HG ARG 81 2HG ARG 81 14.553 -6.444 -6.158 591 2HG ARG 81 1HG ARG 81 13.151 -5.423 -6.485 592 1HD ARG 81 2HD ARG 81 11.990 -6.373 -4.566 593 2HD ARG 81 1HD ARG 81 13.348 -7.457 -4.262 594 HE ARG 81 HE ARG 81 14.340 -5.751 -3.137 595 1HH1 ARG 81 1HH1 ARG 81 12.059 -4.361 -5.386 596 2HH1 ARG 81 2HH1 ARG 81 12.400 -2.730 -4.915 597 1HH2 ARG 81 1HH2 ARG 81 14.780 -3.606 -2.512 598 2HH2 ARG 81 2HH2 ARG 81 13.942 -2.302 -3.284 599 HA PRO 82 HA PRO 82 8.925 -8.794 -10.168 600 1HB PRO 82 2HB PRO 82 10.148 -7.506 -12.327 601 2HB PRO 82 1HB PRO 82 8.678 -6.980 -11.503 602 1HG PRO 82 2HG PRO 82 11.483 -6.037 -11.160 603 2HG PRO 82 1HG PRO 82 9.969 -5.121 -11.077 604 1HD PRO 82 2HD PRO 82 11.331 -5.800 -8.869 605 2HD PRO 82 1HD PRO 82 9.555 -5.771 -8.894 606 H GLU 83 H GLU 83 9.868 -9.439 -12.649 607 HA GLU 83 HA GLU 83 11.740 -11.548 -12.002 608 1HB GLU 83 2HB GLU 83 10.247 -10.914 -14.548 609 2HB GLU 83 1HB GLU 83 11.283 -12.316 -14.328 610 1HG GLU 83 2HG GLU 83 8.986 -12.954 -14.050 611 2HG GLU 83 1HG GLU 83 9.825 -13.084 -12.506 612 H GLU 84 H GLU 84 12.181 -8.405 -12.903 613 HA GLU 84 HA GLU 84 14.267 -8.824 -14.855 614 1HB GLU 84 2HB GLU 84 14.602 -6.393 -14.709 615 2HB GLU 84 1HB GLU 84 12.912 -6.801 -14.973 616 1HG GLU 84 2HG GLU 84 12.451 -6.451 -12.610 617 2HG GLU 84 1HG GLU 84 14.145 -6.053 -12.331 618 H ARG 85 H ARG 85 14.061 -7.986 -11.426 619 HA ARG 85 HA ARG 85 16.902 -8.692 -11.165 620 1HB ARG 85 2HB ARG 85 16.657 -6.231 -11.096 621 2HB ARG 85 1HB ARG 85 15.528 -6.393 -9.759 622 1HG ARG 85 2HG ARG 85 17.591 -5.795 -8.805 623 2HG ARG 85 1HG ARG 85 17.391 -7.516 -8.481 624 1HD ARG 85 2HD ARG 85 18.999 -6.382 -10.765 625 2HD ARG 85 1HD ARG 85 19.682 -6.882 -9.221 626 HE ARG 85 HE ARG 85 19.008 -8.563 -11.391 627 1HH1 ARG 85 1HH1 ARG 85 18.995 -8.445 -7.903 628 2HH1 ARG 85 2HH1 ARG 85 19.070 -10.165 -7.721 629 1HH2 ARG 85 1HH2 ARG 85 19.113 -10.824 -11.154 630 2HH2 ARG 85 2HH2 ARG 85 19.141 -11.516 -9.567 631 H ILE 86 H ILE 86 16.476 -10.708 -10.304 632 HA ILE 86 HA ILE 86 14.838 -10.805 -7.864 633 HB ILE 86 HB ILE 86 15.792 -13.106 -9.577 634 1HG1 ILE 86 2HG1 ILE 86 13.346 -13.285 -10.164 635 2HG1 ILE 86 1HG1 ILE 86 13.112 -11.716 -9.402 636 1HG2 ILE 86 1HG2 ILE 86 15.504 -13.908 -7.377 637 2HG2 ILE 86 2HG2 ILE 86 14.035 -14.351 -8.245 638 3HG2 ILE 86 3HG2 ILE 86 14.029 -12.971 -7.147 639 1HD1 ILE 86 1HD1 ILE 86 13.925 -10.616 -11.163 640 2HD1 ILE 86 2HD1 ILE 86 13.634 -12.122 -12.034 641 3HD1 ILE 86 3HD1 ILE 86 15.241 -11.767 -11.402 Start of MODEL 16 1 H ARG 9 H ARG 9 -17.275 -9.347 -6.014 2 HA ARG 9 HA ARG 9 -15.471 -10.541 -5.313 3 1HB ARG 9 2HB ARG 9 -14.751 -10.511 -8.251 4 2HB ARG 9 1HB ARG 9 -14.039 -11.565 -7.037 5 1HG ARG 9 2HG ARG 9 -16.930 -11.543 -7.880 6 2HG ARG 9 1HG ARG 9 -15.717 -12.734 -8.351 7 1HD ARG 9 2HD ARG 9 -15.439 -13.370 -5.999 8 2HD ARG 9 1HD ARG 9 -16.654 -12.180 -5.535 9 HE ARG 9 HE ARG 9 -18.242 -13.715 -6.070 10 1HH1 ARG 9 1HH1 ARG 9 -15.335 -14.528 -7.823 11 2HH1 ARG 9 2HH1 ARG 9 -16.022 -15.938 -8.556 12 1HH2 ARG 9 1HH2 ARG 9 -19.144 -15.571 -7.030 13 2HH2 ARG 9 2HH2 ARG 9 -18.182 -16.531 -8.105 14 H HIS 10 H HIS 10 -14.330 -9.178 -4.046 15 HA HIS 10 HA HIS 10 -12.306 -7.482 -5.355 16 1HB HIS 10 2HB HIS 10 -12.385 -6.050 -3.362 17 2HB HIS 10 1HB HIS 10 -13.970 -6.179 -4.116 18 HD1 HIS 10 1HD HIS 10 -14.357 -5.295 -1.442 19 HD2 HIS 10 2HD HIS 10 -13.637 -9.322 -2.174 20 HE1 HIS 10 1HE HIS 10 -15.213 -6.511 0.587 21 HE2 HIS 10 2HE HIS 10 -14.849 -8.952 0.081 22 H GLU 11 H GLU 11 -10.584 -6.922 -3.428 23 HA GLU 11 HA GLU 11 -9.854 -9.037 -1.711 24 1HB GLU 11 2HB GLU 11 -7.904 -9.915 -2.884 25 2HB GLU 11 1HB GLU 11 -9.366 -10.202 -3.817 26 1HG GLU 11 2HG GLU 11 -7.386 -7.990 -4.316 27 2HG GLU 11 1HG GLU 11 -7.479 -9.504 -5.212 28 H LEU 12 H LEU 12 -8.678 -6.378 -3.726 29 HA LEU 12 HA LEU 12 -7.227 -5.356 -1.385 30 1HB LEU 12 2HB LEU 12 -5.597 -6.381 -2.883 31 2HB LEU 12 1HB LEU 12 -6.201 -5.425 -4.223 32 HG LEU 12 HG LEU 12 -5.445 -3.369 -3.076 33 1HD1 LEU 12 1HD1 LEU 12 -4.709 -3.318 -0.973 34 2HD1 LEU 12 2HD1 LEU 12 -3.688 -4.737 -1.204 35 3HD1 LEU 12 3HD1 LEU 12 -5.397 -4.933 -0.814 36 1HD2 LEU 12 1HD2 LEU 12 -4.017 -4.525 -4.715 37 2HD2 LEU 12 2HD2 LEU 12 -3.273 -5.436 -3.401 38 3HD2 LEU 12 3HD2 LEU 12 -3.080 -3.684 -3.480 39 H ILE 13 H ILE 13 -8.529 -4.598 -4.599 40 HA ILE 13 HA ILE 13 -8.545 -1.770 -4.135 41 HB ILE 13 HB ILE 13 -10.005 -3.359 -6.252 42 1HG1 ILE 13 2HG1 ILE 13 -7.588 -3.723 -6.355 43 2HG1 ILE 13 1HG1 ILE 13 -8.120 -2.736 -7.713 44 1HG2 ILE 13 1HG2 ILE 13 -10.182 -1.286 -7.465 45 2HG2 ILE 13 2HG2 ILE 13 -9.280 -0.433 -6.214 46 3HG2 ILE 13 3HG2 ILE 13 -10.884 -1.077 -5.861 47 1HD1 ILE 13 1HD1 ILE 13 -7.281 -0.749 -6.652 48 2HD1 ILE 13 2HD1 ILE 13 -6.009 -1.967 -6.712 49 3HD1 ILE 13 3HD1 ILE 13 -6.864 -1.658 -5.200 50 H GLY 14 H GLY 14 -10.126 -0.512 -3.324 51 1HA GLY 14 2HA GLY 14 -12.548 -0.103 -3.127 52 2HA GLY 14 1HA GLY 14 -12.714 -1.804 -2.716 53 H LEU 15 H LEU 15 -10.229 -1.646 -1.049 54 HA LEU 15 HA LEU 15 -11.533 -0.549 1.329 55 1HB LEU 15 2HB LEU 15 -9.732 -1.845 2.543 56 2HB LEU 15 1HB LEU 15 -10.919 -2.791 1.668 57 HG LEU 15 HG LEU 15 -9.312 -3.137 -0.155 58 1HD1 LEU 15 1HD1 LEU 15 -7.590 -1.379 1.551 59 2HD1 LEU 15 2HD1 LEU 15 -7.928 -1.270 -0.177 60 3HD1 LEU 15 3HD1 LEU 15 -6.882 -2.550 0.438 61 1HD2 LEU 15 1HD2 LEU 15 -8.454 -3.883 2.626 62 2HD2 LEU 15 2HD2 LEU 15 -7.653 -4.501 1.181 63 3HD2 LEU 15 3HD2 LEU 15 -9.358 -4.852 1.462 64 H SER 16 H SER 16 -10.063 0.440 2.994 65 HA SER 16 HA SER 16 -8.391 2.438 1.666 66 1HB SER 16 2HB SER 16 -10.143 3.272 3.158 67 2HB SER 16 1HB SER 16 -9.473 2.335 4.494 68 HG SER 16 HG SER 16 -8.671 4.741 3.466 69 H VAL 17 H VAL 17 -6.345 3.084 2.632 70 HA VAL 17 HA VAL 17 -5.025 0.966 4.179 71 HB VAL 17 HB VAL 17 -4.402 0.613 1.852 72 1HG1 VAL 17 1HG1 VAL 17 -3.055 2.373 0.678 73 2HG1 VAL 17 2HG1 VAL 17 -3.561 3.502 1.934 74 3HG1 VAL 17 3HG1 VAL 17 -4.765 2.754 0.884 75 1HG2 VAL 17 1HG2 VAL 17 -2.477 -0.045 2.752 76 2HG2 VAL 17 2HG2 VAL 17 -2.539 1.235 3.964 77 3HG2 VAL 17 3HG2 VAL 17 -1.825 1.551 2.383 78 H ARG 18 H ARG 18 -3.781 1.690 5.805 79 HA ARG 18 HA ARG 18 -3.314 4.593 5.964 80 1HB ARG 18 2HB ARG 18 -3.593 2.577 8.199 81 2HB ARG 18 1HB ARG 18 -3.265 4.292 8.414 82 1HG ARG 18 2HG ARG 18 -5.420 4.835 7.401 83 2HG ARG 18 1HG ARG 18 -5.749 3.115 7.184 84 1HD ARG 18 2HD ARG 18 -5.640 2.789 9.606 85 2HD ARG 18 1HD ARG 18 -5.303 4.506 9.824 86 HE ARG 18 HE ARG 18 -7.689 4.245 8.385 87 1HH1 ARG 18 1HH1 ARG 18 -6.435 3.612 11.579 88 2HH1 ARG 18 2HH1 ARG 18 -7.968 3.816 12.358 89 1HH2 ARG 18 1HH2 ARG 18 -9.707 4.516 9.407 90 2HH2 ARG 18 2HH2 ARG 18 -9.825 4.329 11.126 91 H ILE 19 H ILE 19 -1.290 5.345 6.193 92 HA ILE 19 HA ILE 19 0.887 3.402 6.121 93 HB ILE 19 HB ILE 19 0.992 6.404 5.783 94 1HG1 ILE 19 2HG1 ILE 19 -0.328 5.348 4.011 95 2HG1 ILE 19 1HG1 ILE 19 1.213 5.928 3.380 96 1HG2 ILE 19 1HG2 ILE 19 3.039 4.230 5.493 97 2HG2 ILE 19 2HG2 ILE 19 3.140 5.732 6.410 98 3HG2 ILE 19 3HG2 ILE 19 3.200 5.770 4.649 99 1HD1 ILE 19 1HD1 ILE 19 2.057 3.539 3.719 100 2HD1 ILE 19 2HD1 ILE 19 0.915 3.815 2.402 101 3HD1 ILE 19 3HD1 ILE 19 0.361 3.097 3.914 102 H ALA 20 H ALA 20 2.193 2.999 7.797 103 HA ALA 20 HA ALA 20 1.886 4.651 10.203 104 1HB ALA 20 1HB ALA 20 1.611 1.967 9.963 105 2HB ALA 20 2HB ALA 20 2.029 2.795 11.463 106 3HB ALA 20 3HB ALA 20 3.299 2.092 10.460 107 H ARG 21 H ARG 21 4.200 3.385 7.946 108 HA ARG 21 HA ARG 21 6.138 5.340 8.725 109 1HB ARG 21 2HB ARG 21 6.795 2.407 9.050 110 2HB ARG 21 1HB ARG 21 7.960 3.719 9.147 111 1HG ARG 21 2HG ARG 21 6.769 4.617 11.095 112 2HG ARG 21 1HG ARG 21 5.635 3.267 11.008 113 1HD ARG 21 2HD ARG 21 7.352 2.843 12.684 114 2HD ARG 21 1HD ARG 21 7.481 1.695 11.352 115 HE ARG 21 HE ARG 21 9.177 3.858 10.826 116 1HH1 ARG 21 1HH1 ARG 21 8.887 1.192 13.061 117 2HH1 ARG 21 2HH1 ARG 21 10.593 1.069 13.331 118 1HH2 ARG 21 1HH2 ARG 21 11.421 3.697 11.180 119 2HH2 ARG 21 2HH2 ARG 21 12.031 2.491 12.262 120 H SER 22 H SER 22 7.376 5.925 7.014 121 HA SER 22 HA SER 22 7.565 4.097 4.733 122 1HB SER 22 2HB SER 22 5.652 5.552 4.258 123 2HB SER 22 1HB SER 22 6.654 6.976 4.534 124 HG SER 22 HG SER 22 7.103 5.017 2.529 125 H VAL 23 H VAL 23 9.183 4.802 3.127 126 HA VAL 23 HA VAL 23 11.647 5.371 4.326 127 HB VAL 23 HB VAL 23 11.511 4.154 2.227 128 1HG1 VAL 23 1HG1 VAL 23 10.916 5.196 0.139 129 2HG1 VAL 23 2HG1 VAL 23 10.696 6.755 0.934 130 3HG1 VAL 23 3HG1 VAL 23 9.595 5.421 1.287 131 1HG2 VAL 23 1HG2 VAL 23 13.352 5.173 1.068 132 2HG2 VAL 23 2HG2 VAL 23 13.572 5.430 2.798 133 3HG2 VAL 23 3HG2 VAL 23 12.987 6.745 1.780 134 H HIS 24 H HIS 24 9.492 7.441 2.404 135 HA HIS 24 HA HIS 24 11.164 9.757 3.050 136 1HB HIS 24 2HB HIS 24 8.840 9.492 1.130 137 2HB HIS 24 1HB HIS 24 9.808 10.945 1.361 138 HD1 HIS 24 1HD HIS 24 12.576 10.259 1.028 139 HD2 HIS 24 2HD HIS 24 9.655 8.178 -1.071 140 HE1 HIS 24 1HE HIS 24 13.766 9.218 -0.926 141 HE2 HIS 24 2HE HIS 24 11.995 7.896 -2.137 142 H ARG 25 H ARG 25 10.488 11.403 4.325 143 HA ARG 25 HA ARG 25 8.294 10.916 6.083 144 1HB ARG 25 2HB ARG 25 10.147 13.273 5.757 145 2HB ARG 25 1HB ARG 25 8.888 13.203 6.980 146 1HG ARG 25 2HG ARG 25 11.031 12.598 7.925 147 2HG ARG 25 1HG ARG 25 9.936 11.218 7.947 148 1HD ARG 25 2HD ARG 25 11.024 10.269 6.013 149 2HD ARG 25 1HD ARG 25 12.050 11.694 5.848 150 HE ARG 25 HE ARG 25 12.516 9.462 7.517 151 1HH1 ARG 25 1HH1 ARG 25 12.852 12.935 7.440 152 2HH1 ARG 25 2HH1 ARG 25 14.142 12.960 8.595 153 1HH2 ARG 25 1HH2 ARG 25 14.214 9.494 9.032 154 2HH2 ARG 25 2HH2 ARG 25 14.916 11.007 9.496 155 H ASP 26 H ASP 26 8.406 12.200 2.993 156 HA ASP 26 HA ASP 26 6.439 14.240 3.312 157 1HB ASP 26 2HB ASP 26 6.402 14.266 0.826 158 2HB ASP 26 1HB ASP 26 8.015 14.447 1.504 159 H ILE 27 H ILE 27 6.255 10.857 3.182 160 HA ILE 27 HA ILE 27 3.384 11.056 2.763 161 HB ILE 27 HB ILE 27 3.207 9.226 1.318 162 1HG1 ILE 27 2HG1 ILE 27 4.822 7.737 2.475 163 2HG1 ILE 27 1HG1 ILE 27 5.001 7.699 0.726 164 1HG2 ILE 27 1HG2 ILE 27 5.705 10.284 0.133 165 2HG2 ILE 27 2HG2 ILE 27 4.422 11.436 0.502 166 3HG2 ILE 27 3HG2 ILE 27 4.104 10.081 -0.580 167 1HD1 ILE 27 1HD1 ILE 27 6.734 9.689 1.830 168 2HD1 ILE 27 2HD1 ILE 27 7.136 8.255 0.893 169 3HD1 ILE 27 3HD1 ILE 27 6.983 8.150 2.647 170 H GLN 28 H GLN 28 5.529 10.485 4.980 171 HA GLN 28 HA GLN 28 4.760 7.906 5.948 172 1HB GLN 28 2HB GLN 28 7.006 8.879 6.345 173 2HB GLN 28 1HB GLN 28 6.269 10.116 7.351 174 1HG GLN 28 2HG GLN 28 6.105 7.169 7.926 175 2HG GLN 28 1HG GLN 28 7.330 8.242 8.598 176 1HE2 GLN 28 1HE2 GLN 28 4.561 6.740 9.307 177 2HE2 GLN 28 2HE2 GLN 28 3.905 7.824 10.482 178 H GLY 29 H GLY 29 3.284 7.400 7.491 179 1HA GLY 29 2HA GLY 29 1.569 7.650 9.003 180 2HA GLY 29 1HA GLY 29 2.157 9.279 9.299 181 H ILE 30 H ILE 30 1.434 8.544 6.031 182 HA ILE 30 HA ILE 30 -0.913 10.250 6.190 183 HB ILE 30 HB ILE 30 0.647 9.381 3.758 184 1HG1 ILE 30 2HG1 ILE 30 1.966 10.832 5.222 185 2HG1 ILE 30 1HG1 ILE 30 1.509 11.688 3.751 186 1HG2 ILE 30 1HG2 ILE 30 -1.739 11.143 4.141 187 2HG2 ILE 30 2HG2 ILE 30 -1.457 9.886 2.936 188 3HG2 ILE 30 3HG2 ILE 30 -0.622 11.434 2.808 189 1HD1 ILE 30 1HD1 ILE 30 0.178 11.964 6.441 190 2HD1 ILE 30 2HD1 ILE 30 -0.283 12.821 4.971 191 3HD1 ILE 30 3HD1 ILE 30 1.292 13.117 5.708 192 H SER 31 H SER 31 -2.895 9.427 6.027 193 HA SER 31 HA SER 31 -3.209 6.631 5.250 194 1HB SER 31 2HB SER 31 -4.281 7.335 7.331 195 2HB SER 31 1HB SER 31 -5.178 8.585 6.469 196 HG SER 31 HG SER 31 -5.386 5.877 5.713 197 H GLY 32 H GLY 32 -4.935 5.989 3.776 198 1HA GLY 32 2HA GLY 32 -6.355 7.784 2.157 199 2HA GLY 32 1HA GLY 32 -4.844 7.400 1.346 200 H ARG 33 H ARG 33 -6.258 6.499 -0.310 201 HA ARG 33 HA ARG 33 -7.160 3.821 0.429 202 1HB ARG 33 2HB ARG 33 -8.384 5.715 -1.520 203 2HB ARG 33 1HB ARG 33 -8.703 3.988 -1.583 204 1HG ARG 33 2HG ARG 33 -9.335 4.132 0.843 205 2HG ARG 33 1HG ARG 33 -9.309 5.885 0.659 206 1HD ARG 33 2HD ARG 33 -11.046 5.765 -1.020 207 2HD ARG 33 1HD ARG 33 -11.004 4.005 -0.986 208 HE ARG 33 HE ARG 33 -12.416 4.093 0.793 209 1HH1 ARG 33 1HH1 ARG 33 -10.734 7.147 0.611 210 2HH1 ARG 33 2HH1 ARG 33 -11.562 7.825 1.971 211 1HH2 ARG 33 1HH2 ARG 33 -13.508 4.988 2.580 212 2HH2 ARG 33 2HH2 ARG 33 -13.136 6.602 3.087 213 H VAL 34 H VAL 34 -7.335 2.378 -1.580 214 HA VAL 34 HA VAL 34 -4.605 2.300 -2.653 215 HB VAL 34 HB VAL 34 -6.596 0.047 -2.441 216 1HG1 VAL 34 1HG1 VAL 34 -5.125 -0.599 -4.117 217 2HG1 VAL 34 2HG1 VAL 34 -4.390 -1.282 -2.667 218 3HG1 VAL 34 3HG1 VAL 34 -3.751 0.208 -3.361 219 1HG2 VAL 34 1HG2 VAL 34 -4.227 0.705 -0.694 220 2HG2 VAL 34 2HG2 VAL 34 -5.272 -0.706 -0.541 221 3HG2 VAL 34 3HG2 VAL 34 -5.921 0.907 -0.247 222 H VAL 35 H VAL 35 -4.141 1.554 -4.793 223 HA VAL 35 HA VAL 35 -6.393 1.529 -6.638 224 HB VAL 35 HB VAL 35 -5.138 3.839 -6.640 225 1HG1 VAL 35 1HG1 VAL 35 -3.362 2.182 -8.407 226 2HG1 VAL 35 2HG1 VAL 35 -2.897 3.007 -6.925 227 3HG1 VAL 35 3HG1 VAL 35 -3.382 3.940 -8.336 228 1HG2 VAL 35 1HG2 VAL 35 -6.926 2.862 -8.206 229 2HG2 VAL 35 2HG2 VAL 35 -5.585 2.557 -9.309 230 3HG2 VAL 35 3HG2 VAL 35 -5.948 4.205 -8.797 231 H ASP 36 H ASP 36 -2.882 1.123 -6.309 232 HA ASP 36 HA ASP 36 -3.010 -1.521 -7.393 233 1HB ASP 36 2HB ASP 36 -2.997 -0.206 -9.467 234 2HB ASP 36 1HB ASP 36 -1.534 0.617 -8.939 235 H GLU 37 H GLU 37 -0.881 -2.597 -7.380 236 HA GLU 37 HA GLU 37 0.967 -1.355 -5.442 237 1HB GLU 37 2HB GLU 37 0.286 -4.289 -5.736 238 2HB GLU 37 1HB GLU 37 1.462 -3.620 -4.613 239 1HG GLU 37 2HG GLU 37 -0.320 -2.396 -3.478 240 2HG GLU 37 1HG GLU 37 -1.497 -3.073 -4.601 241 H THR 38 H THR 38 3.033 -1.161 -6.090 242 HA THR 38 HA THR 38 3.860 -2.672 -8.481 243 HB THR 38 HB THR 38 4.769 0.080 -7.643 244 HG1 THR 38 1HG THR 38 3.117 -0.661 -9.821 245 1HG2 THR 38 1HG2 THR 38 5.645 -1.756 -9.768 246 2HG2 THR 38 2HG2 THR 38 6.520 -0.469 -8.939 247 3HG2 THR 38 3HG2 THR 38 5.394 -0.073 -10.237 248 H ARG 39 H ARG 39 6.007 -3.364 -8.611 249 HA ARG 39 HA ARG 39 7.093 -4.576 -6.420 250 1HB ARG 39 2HB ARG 39 9.148 -4.828 -7.709 251 2HB ARG 39 1HB ARG 39 7.735 -5.094 -8.723 252 1HG ARG 39 2HG ARG 39 7.954 -2.830 -9.622 253 2HG ARG 39 1HG ARG 39 9.378 -2.573 -8.611 254 1HD ARG 39 2HD ARG 39 10.521 -4.405 -9.757 255 2HD ARG 39 1HD ARG 39 9.096 -4.670 -10.760 256 HE ARG 39 HE ARG 39 9.889 -2.002 -11.038 257 1HH1 ARG 39 1HH1 ARG 39 11.039 -5.199 -11.827 258 2HH1 ARG 39 2HH1 ARG 39 11.922 -4.674 -13.221 259 1HH2 ARG 39 1HH2 ARG 39 11.046 -1.308 -12.871 260 2HH2 ARG 39 2HH2 ARG 39 11.926 -2.465 -13.815 261 H ASN 40 H ASN 40 7.547 -1.240 -7.401 262 HA ASN 40 HA ASN 40 9.199 -0.878 -4.998 263 1HB ASN 40 2HB ASN 40 10.624 0.731 -6.180 264 2HB ASN 40 1HB ASN 40 10.717 -0.877 -6.880 265 1HD2 ASN 40 1HD2 ASN 40 7.791 0.482 -7.796 266 2HD2 ASN 40 2HD2 ASN 40 8.275 1.110 -9.323 267 H THR 41 H THR 41 6.295 -0.157 -6.080 268 HA THR 41 HA THR 41 6.188 2.256 -4.518 269 HB THR 41 HB THR 41 6.871 3.157 -6.708 270 HG1 THR 41 1HG THR 41 4.172 3.786 -6.120 271 1HG2 THR 41 1HG2 THR 41 5.257 3.188 -8.558 272 2HG2 THR 41 2HG2 THR 41 4.280 1.999 -7.697 273 3HG2 THR 41 3HG2 THR 41 5.905 1.580 -8.239 274 H LEU 42 H LEU 42 4.007 3.040 -4.193 275 HA LEU 42 HA LEU 42 1.920 1.046 -4.753 276 1HB LEU 42 2HB LEU 42 2.720 0.695 -2.484 277 2HB LEU 42 1HB LEU 42 2.498 2.384 -2.105 278 HG LEU 42 HG LEU 42 0.773 0.960 -1.109 279 1HD1 LEU 42 1HD1 LEU 42 -0.681 2.490 -3.215 280 2HD1 LEU 42 2HD1 LEU 42 0.375 3.360 -2.101 281 3HD1 LEU 42 3HD1 LEU 42 -0.972 2.405 -1.478 282 1HD2 LEU 42 1HD2 LEU 42 -0.982 0.102 -2.833 283 2HD2 LEU 42 2HD2 LEU 42 0.460 -0.859 -2.500 284 3HD2 LEU 42 3HD2 LEU 42 0.377 0.133 -3.956 285 H ARG 43 H ARG 43 0.383 2.035 -5.912 286 HA ARG 43 HA ARG 43 0.062 4.916 -5.581 287 1HB ARG 43 2HB ARG 43 0.326 3.942 -7.859 288 2HB ARG 43 1HB ARG 43 -1.205 3.112 -7.646 289 1HG ARG 43 2HG ARG 43 -2.395 5.183 -7.559 290 2HG ARG 43 1HG ARG 43 -0.891 6.098 -7.479 291 1HD ARG 43 2HD ARG 43 -2.002 6.086 -9.731 292 2HD ARG 43 1HD ARG 43 -0.327 5.539 -9.721 293 HE ARG 43 HE ARG 43 -1.910 3.279 -9.468 294 1HH1 ARG 43 1HH1 ARG 43 -1.381 5.805 -11.814 295 2HH1 ARG 43 2HH1 ARG 43 -1.759 4.797 -13.170 296 1HH2 ARG 43 1HH2 ARG 43 -2.408 1.950 -11.247 297 2HH2 ARG 43 2HH2 ARG 43 -2.342 2.608 -12.848 298 H ILE 44 H ILE 44 -1.586 5.819 -4.618 299 HA ILE 44 HA ILE 44 -3.574 4.113 -3.326 300 HB ILE 44 HB ILE 44 -2.417 6.823 -2.774 301 1HG1 ILE 44 2HG1 ILE 44 -2.814 4.356 -1.081 302 2HG1 ILE 44 1HG1 ILE 44 -1.312 4.860 -1.848 303 1HG2 ILE 44 1HG2 ILE 44 -5.158 6.298 -2.352 304 2HG2 ILE 44 2HG2 ILE 44 -4.209 7.694 -1.849 305 3HG2 ILE 44 3HG2 ILE 44 -4.359 6.301 -0.780 306 1HD1 ILE 44 1HD1 ILE 44 -0.873 5.748 0.155 307 2HD1 ILE 44 2HD1 ILE 44 -2.573 5.785 0.625 308 3HD1 ILE 44 3HD1 ILE 44 -1.912 7.061 -0.396 309 H GLU 45 H GLU 45 -5.656 4.059 -3.965 310 HA GLU 45 HA GLU 45 -6.714 6.476 -5.229 311 1HB GLU 45 2HB GLU 45 -6.464 5.002 -7.081 312 2HB GLU 45 1HB GLU 45 -7.136 3.644 -6.192 313 1HG GLU 45 2HG GLU 45 -9.314 4.744 -6.161 314 2HG GLU 45 1HG GLU 45 -8.637 6.117 -7.034 315 H MET 46 H MET 46 -8.618 7.093 -4.588 316 HA MET 46 HA MET 46 -10.033 5.466 -2.592 317 1HB MET 46 2HB MET 46 -10.707 7.578 -1.507 318 2HB MET 46 1HB MET 46 -8.963 7.370 -1.524 319 1HG MET 46 2HG MET 46 -9.129 8.789 -3.712 320 2HG MET 46 1HG MET 46 -10.658 9.305 -3.002 321 1HE MET 46 1HE MET 46 -6.824 9.298 -2.833 322 2HE MET 46 2HE MET 46 -7.138 8.410 -1.337 323 3HE MET 46 3HE MET 46 -6.460 10.037 -1.269 324 H ASP 47 H ASP 47 -12.142 5.163 -2.800 325 HA ASP 47 HA ASP 47 -13.475 5.204 -5.141 326 1HB ASP 47 2HB ASP 47 -15.574 5.060 -3.858 327 2HB ASP 47 1HB ASP 47 -14.309 4.039 -3.179 328 H ASP 48 H ASP 48 -12.993 7.951 -3.090 329 HA ASP 48 HA ASP 48 -15.070 9.600 -3.985 330 1HB ASP 48 2HB ASP 48 -12.270 10.403 -3.156 331 2HB ASP 48 1HB ASP 48 -13.655 11.486 -3.269 332 H GLY 49 H GLY 49 -12.387 8.356 -5.658 333 1HA GLY 49 2HA GLY 49 -12.249 8.507 -8.024 334 2HA GLY 49 1HA GLY 49 -12.987 10.097 -7.938 335 H ARG 50 H ARG 50 -10.570 9.453 -5.619 336 HA ARG 50 HA ARG 50 -8.712 11.177 -7.127 337 1HB ARG 50 2HB ARG 50 -8.848 10.656 -4.167 338 2HB ARG 50 1HB ARG 50 -7.672 11.690 -4.951 339 1HG ARG 50 2HG ARG 50 -10.645 12.148 -5.027 340 2HG ARG 50 1HG ARG 50 -9.551 12.898 -3.866 341 1HD ARG 50 2HD ARG 50 -9.871 14.484 -5.587 342 2HD ARG 50 1HD ARG 50 -8.268 13.800 -5.844 343 HE ARG 50 HE ARG 50 -10.162 12.372 -7.359 344 1HH1 ARG 50 1HH1 ARG 50 -8.566 15.473 -7.259 345 2HH1 ARG 50 2HH1 ARG 50 -8.689 15.730 -8.967 346 1HH2 ARG 50 1HH2 ARG 50 -10.328 12.710 -9.605 347 2HH2 ARG 50 2HH2 ARG 50 -9.690 14.162 -10.299 348 H GLU 51 H GLU 51 -6.405 10.754 -6.934 349 HA GLU 51 HA GLU 51 -5.643 8.086 -6.106 350 1HB GLU 51 2HB GLU 51 -5.335 8.994 -8.973 351 2HB GLU 51 1HB GLU 51 -4.674 7.509 -8.301 352 1HG GLU 51 2HG GLU 51 -6.947 6.727 -7.831 353 2HG GLU 51 1HG GLU 51 -7.593 8.204 -8.541 354 H ILE 52 H ILE 52 -3.806 8.375 -4.993 355 HA ILE 52 HA ILE 52 -1.818 10.305 -6.013 356 HB ILE 52 HB ILE 52 -2.900 11.268 -4.044 357 1HG1 ILE 52 2HG1 ILE 52 -0.087 10.295 -3.484 358 2HG1 ILE 52 1HG1 ILE 52 -0.519 11.725 -4.421 359 1HG2 ILE 52 1HG2 ILE 52 -3.653 9.253 -2.950 360 2HG2 ILE 52 2HG2 ILE 52 -2.653 10.188 -1.839 361 3HG2 ILE 52 3HG2 ILE 52 -1.989 8.764 -2.637 362 1HD1 ILE 52 1HD1 ILE 52 0.191 12.330 -2.167 363 2HD1 ILE 52 2HD1 ILE 52 -1.074 11.307 -1.483 364 3HD1 ILE 52 3HD1 ILE 52 -1.509 12.737 -2.419 365 H THR 53 H THR 53 0.253 9.569 -6.140 366 HA THR 53 HA THR 53 0.723 6.770 -5.710 367 HB THR 53 HB THR 53 1.669 7.869 -7.653 368 HG1 THR 53 1HG THR 53 3.032 6.302 -7.263 369 1HG2 THR 53 1HG2 THR 53 2.054 10.099 -6.849 370 2HG2 THR 53 2HG2 THR 53 3.570 9.414 -7.437 371 3HG2 THR 53 3HG2 THR 53 3.262 9.514 -5.703 372 H VAL 54 H VAL 54 2.221 5.787 -4.352 373 HA VAL 54 HA VAL 54 3.642 7.355 -2.368 374 HB VAL 54 HB VAL 54 1.602 5.309 -1.483 375 1HG1 VAL 54 1HG1 VAL 54 3.772 5.630 -0.150 376 2HG1 VAL 54 2HG1 VAL 54 2.247 5.753 0.727 377 3HG1 VAL 54 3HG1 VAL 54 3.123 7.214 0.272 378 1HG2 VAL 54 1HG2 VAL 54 0.465 7.301 -2.232 379 2HG2 VAL 54 2HG2 VAL 54 1.562 8.322 -1.302 380 3HG2 VAL 54 3HG2 VAL 54 0.435 7.250 -0.469 381 HA PRO 55 HA PRO 55 6.380 3.913 -3.396 382 1HB PRO 55 2HB PRO 55 8.095 5.117 -1.316 383 2HB PRO 55 1HB PRO 55 8.445 4.802 -3.018 384 1HG PRO 55 2HG PRO 55 8.056 7.290 -2.118 385 2HG PRO 55 1HG PRO 55 7.483 6.786 -3.719 386 1HD PRO 55 2HD PRO 55 5.941 7.114 -1.171 387 2HD PRO 55 1HD PRO 55 5.494 7.577 -2.827 388 H LYS 56 H LYS 56 5.922 1.945 -2.601 389 HA LYS 56 HA LYS 56 5.664 1.610 0.298 390 1HB LYS 56 2HB LYS 56 4.574 -0.536 -0.212 391 2HB LYS 56 1HB LYS 56 3.757 0.830 -0.946 392 1HG LYS 56 2HG LYS 56 3.748 -0.874 -2.564 393 2HG LYS 56 1HG LYS 56 4.991 0.265 -3.078 394 1HD LYS 56 2HD LYS 56 5.666 -2.097 -3.321 395 2HD LYS 56 1HD LYS 56 6.729 -1.190 -2.247 396 1HE LYS 56 2HE LYS 56 5.605 -2.135 -0.307 397 2HE LYS 56 1HE LYS 56 4.469 -2.981 -1.357 398 1HZ LYS 56 1HZ LYS 56 7.223 -3.537 -1.963 399 2HZ LYS 56 2HZ LYS 56 5.931 -4.604 -1.731 400 3HZ LYS 56 3HZ LYS 56 6.781 -4.004 -0.396 401 H GLY 57 H GLY 57 8.059 1.276 -1.953 402 1HA GLY 57 2HA GLY 57 9.180 -1.215 -1.634 403 2HA GLY 57 1HA GLY 57 10.128 0.257 -1.807 404 H ILE 58 H ILE 58 8.913 1.296 0.722 405 HA ILE 58 HA ILE 58 9.891 -0.464 2.773 406 HB ILE 58 HB ILE 58 11.094 2.292 2.488 407 1HG1 ILE 58 2HG1 ILE 58 13.263 0.895 2.242 408 2HG1 ILE 58 1HG1 ILE 58 12.188 -0.428 1.800 409 1HG2 ILE 58 1HG2 ILE 58 12.123 0.209 4.352 410 2HG2 ILE 58 2HG2 ILE 58 10.674 1.113 4.788 411 3HG2 ILE 58 3HG2 ILE 58 12.183 1.967 4.476 412 1HD1 ILE 58 1HD1 ILE 58 12.256 0.314 -0.278 413 2HD1 ILE 58 2HD1 ILE 58 13.138 1.760 0.214 414 3HD1 ILE 58 3HD1 ILE 58 11.374 1.747 0.251 415 H ALA 59 H ALA 59 7.383 -0.057 2.661 416 HA ALA 59 HA ALA 59 6.838 2.021 4.638 417 1HB ALA 59 1HB ALA 59 4.896 1.698 2.405 418 2HB ALA 59 2HB ALA 59 6.338 2.692 2.183 419 3HB ALA 59 3HB ALA 59 5.184 3.088 3.455 420 H VAL 60 H VAL 60 6.046 0.999 6.364 421 HA VAL 60 HA VAL 60 4.462 -1.411 6.101 422 HB VAL 60 HB VAL 60 6.023 -1.191 7.991 423 1HG1 VAL 60 1HG1 VAL 60 4.314 0.663 9.494 424 2HG1 VAL 60 2HG1 VAL 60 5.195 1.391 8.150 425 3HG1 VAL 60 3HG1 VAL 60 6.072 0.542 9.424 426 1HG2 VAL 60 1HG2 VAL 60 4.224 -2.699 8.335 427 2HG2 VAL 60 2HG2 VAL 60 3.092 -1.385 8.660 428 3HG2 VAL 60 3HG2 VAL 60 4.371 -1.754 9.817 429 H PHE 61 H PHE 61 2.291 -1.483 5.976 430 HA PHE 61 HA PHE 61 0.709 0.626 7.165 431 1HB PHE 61 2HB PHE 61 -0.537 0.981 4.969 432 2HB PHE 61 1HB PHE 61 1.056 1.714 5.112 433 HD1 PHE 61 1HD PHE 61 -0.319 -1.605 4.048 434 HD2 PHE 61 2HD PHE 61 2.313 1.636 3.220 435 HE1 PHE 61 1HE PHE 61 0.400 -2.719 1.976 436 HE2 PHE 61 2HE PHE 61 3.030 0.529 1.144 437 HZ PHE 61 HZ PHE 61 2.073 -1.652 0.522 438 H HIS 62 H HIS 62 -1.520 0.182 7.274 439 HA HIS 62 HA HIS 62 -2.202 -2.653 6.861 440 1HB HIS 62 2HB HIS 62 -3.068 -0.802 9.093 441 2HB HIS 62 1HB HIS 62 -3.663 -2.442 8.861 442 HD1 HIS 62 1HD HIS 62 -0.185 -0.892 9.090 443 HD2 HIS 62 2HD HIS 62 -2.387 -4.095 10.559 444 HE1 HIS 62 1HE HIS 62 1.382 -2.146 10.605 445 HE2 HIS 62 2HE HIS 62 -0.003 -4.019 11.563 446 H PHE 63 H PHE 63 -4.213 -3.113 5.994 447 HA PHE 63 HA PHE 63 -5.634 -0.792 4.893 448 1HB PHE 63 2HB PHE 63 -5.810 -3.686 4.032 449 2HB PHE 63 1HB PHE 63 -6.537 -2.306 3.218 450 HD1 PHE 63 1HD PHE 63 -5.455 -1.512 1.361 451 HD2 PHE 63 2HD PHE 63 -3.172 -3.398 4.416 452 HE1 PHE 63 1HE PHE 63 -3.426 -1.252 -0.002 453 HE2 PHE 63 2HE PHE 63 -1.140 -3.137 3.062 454 HZ PHE 63 HZ PHE 63 -1.261 -2.064 0.848 455 H ARG 64 H ARG 64 -7.800 -0.493 5.169 456 HA ARG 64 HA ARG 64 -9.078 -2.191 7.207 457 1HB ARG 64 2HB ARG 64 -9.586 0.698 6.468 458 2HB ARG 64 1HB ARG 64 -10.532 -0.209 7.639 459 1HG ARG 64 2HG ARG 64 -7.575 0.307 7.871 460 2HG ARG 64 1HG ARG 64 -8.830 1.271 8.654 461 1HD ARG 64 2HD ARG 64 -8.343 -1.677 9.074 462 2HD ARG 64 1HD ARG 64 -7.883 -0.388 10.184 463 HE ARG 64 HE ARG 64 -10.639 -0.219 9.670 464 1HH1 ARG 64 1HH1 ARG 64 -8.342 -2.263 11.318 465 2HH1 ARG 64 2HH1 ARG 64 -9.490 -2.827 12.484 466 1HH2 ARG 64 1HH2 ARG 64 -12.152 -0.960 11.202 467 2HH2 ARG 64 2HH2 ARG 64 -11.654 -2.088 12.418 468 H THR 65 H THR 65 -10.767 -3.388 6.612 469 HA THR 65 HA THR 65 -11.983 -2.875 3.996 470 HB THR 65 HB THR 65 -12.147 -5.336 5.741 471 HG1 THR 65 1HG THR 65 -10.629 -6.191 4.376 472 1HG2 THR 65 1HG2 THR 65 -13.969 -5.615 4.398 473 2HG2 THR 65 2HG2 THR 65 -12.709 -6.320 3.388 474 3HG2 THR 65 3HG2 THR 65 -13.277 -4.680 3.073 475 HA PRO 66 HA PRO 66 -15.537 -1.036 5.960 476 1HB PRO 66 2HB PRO 66 -17.304 -1.733 3.899 477 2HB PRO 66 1HB PRO 66 -16.377 -0.237 4.017 478 1HG PRO 66 2HG PRO 66 -15.792 -2.714 2.467 479 2HG PRO 66 1HG PRO 66 -15.479 -1.020 2.045 480 1HD PRO 66 2HD PRO 66 -13.507 -2.633 2.854 481 2HD PRO 66 1HD PRO 66 -13.550 -0.926 3.340 482 H GLN 67 H GLN 67 -15.416 -4.339 4.817 483 HA GLN 67 HA GLN 67 -17.897 -5.189 5.879 484 1HB GLN 67 2HB GLN 67 -16.806 -6.506 4.196 485 2HB GLN 67 1HB GLN 67 -15.365 -6.677 5.186 486 1HG GLN 67 2HG GLN 67 -16.662 -7.994 6.806 487 2HG GLN 67 1HG GLN 67 -18.068 -7.870 5.747 488 1HE2 GLN 67 1HE2 GLN 67 -15.140 -9.465 6.395 489 2HE2 GLN 67 2HE2 GLN 67 -15.174 -10.575 5.071 490 H GLY 68 H GLY 68 -14.995 -4.268 7.377 491 1HA GLY 68 2HA GLY 68 -14.926 -3.979 9.752 492 2HA GLY 68 1HA GLY 68 -15.954 -5.395 9.916 493 H GLU 69 H GLU 69 -13.018 -5.013 7.966 494 HA GLU 69 HA GLU 69 -11.723 -7.017 9.702 495 1HB GLU 69 2HB GLU 69 -11.548 -6.871 6.688 496 2HB GLU 69 1HB GLU 69 -10.674 -8.002 7.709 497 1HG GLU 69 2HG GLU 69 -13.664 -7.845 7.396 498 2HG GLU 69 1HG GLU 69 -12.601 -9.055 6.675 499 H LEU 70 H LEU 70 -9.402 -6.975 9.731 500 HA LEU 70 HA LEU 70 -8.257 -4.382 8.924 501 1HB LEU 70 2HB LEU 70 -8.702 -4.505 11.365 502 2HB LEU 70 1HB LEU 70 -7.656 -5.906 11.463 503 HG LEU 70 HG LEU 70 -6.729 -3.166 10.590 504 1HD1 LEU 70 1HD1 LEU 70 -7.445 -3.081 12.903 505 2HD1 LEU 70 2HD1 LEU 70 -5.683 -3.047 12.821 506 3HD1 LEU 70 3HD1 LEU 70 -6.517 -4.535 13.271 507 1HD2 LEU 70 1HD2 LEU 70 -4.505 -4.334 11.347 508 2HD2 LEU 70 2HD2 LEU 70 -5.151 -4.606 9.728 509 3HD2 LEU 70 3HD2 LEU 70 -5.402 -5.810 10.992 510 H VAL 71 H VAL 71 -6.799 -4.734 7.392 511 HA VAL 71 HA VAL 71 -5.248 -7.230 7.440 512 HB VAL 71 HB VAL 71 -5.567 -5.256 5.175 513 1HG1 VAL 71 1HG1 VAL 71 -4.235 -7.947 5.359 514 2HG1 VAL 71 2HG1 VAL 71 -3.512 -6.405 4.903 515 3HG1 VAL 71 3HG1 VAL 71 -4.670 -7.188 3.827 516 1HG2 VAL 71 1HG2 VAL 71 -7.334 -6.419 4.383 517 2HG2 VAL 71 2HG2 VAL 71 -7.537 -6.838 6.085 518 3HG2 VAL 71 3HG2 VAL 71 -6.730 -7.961 4.991 519 H GLU 72 H GLU 72 -2.959 -7.138 6.948 520 HA GLU 72 HA GLU 72 -1.694 -4.542 7.473 521 1HB GLU 72 2HB GLU 72 -0.108 -5.588 9.022 522 2HB GLU 72 1HB GLU 72 -1.761 -5.739 9.603 523 1HG GLU 72 2HG GLU 72 -1.836 -8.042 8.793 524 2HG GLU 72 1HG GLU 72 -0.175 -7.892 8.219 525 H ILE 73 H ILE 73 0.231 -4.186 6.434 526 HA ILE 73 HA ILE 73 1.495 -6.376 4.978 527 HB ILE 73 HB ILE 73 0.596 -3.843 3.594 528 1HG1 ILE 73 2HG1 ILE 73 -1.254 -5.430 4.035 529 2HG1 ILE 73 1HG1 ILE 73 -0.913 -5.259 2.316 530 1HG2 ILE 73 1HG2 ILE 73 1.979 -6.273 2.464 531 2HG2 ILE 73 2HG2 ILE 73 2.757 -4.727 2.805 532 3HG2 ILE 73 3HG2 ILE 73 1.497 -4.828 1.576 533 1HD1 ILE 73 1HD1 ILE 73 -1.344 -7.608 3.267 534 2HD1 ILE 73 2HD1 ILE 73 0.297 -7.491 3.902 535 3HD1 ILE 73 3HD1 ILE 73 0.014 -7.384 2.165 536 H ASP 74 H ASP 74 3.641 -6.230 5.192 537 HA ASP 74 HA ASP 74 4.762 -3.765 6.256 538 1HB ASP 74 2HB ASP 74 5.979 -6.506 5.884 539 2HB ASP 74 1HB ASP 74 6.808 -5.134 6.611 540 H GLY 75 H GLY 75 5.043 -2.326 4.667 541 1HA GLY 75 2HA GLY 75 5.881 -2.908 2.035 542 2HA GLY 75 1HA GLY 75 5.876 -1.324 2.783 543 H ARG 76 H ARG 76 7.656 -2.821 4.926 544 HA ARG 76 HA ARG 76 10.123 -2.131 3.575 545 1HB ARG 76 2HB ARG 76 9.722 -0.995 5.676 546 2HB ARG 76 1HB ARG 76 9.520 -2.537 6.496 547 1HG ARG 76 2HG ARG 76 11.861 -3.082 6.050 548 2HG ARG 76 1HG ARG 76 12.063 -1.531 5.234 549 1HD ARG 76 2HD ARG 76 11.311 -1.933 8.129 550 2HD ARG 76 1HD ARG 76 12.895 -1.443 7.530 551 HE ARG 76 HE ARG 76 10.991 0.365 6.571 552 1HH1 ARG 76 1HH1 ARG 76 12.432 -0.601 9.597 553 2HH1 ARG 76 2HH1 ARG 76 12.232 0.953 10.332 554 1HH2 ARG 76 1HH2 ARG 76 10.727 2.411 7.535 555 2HH2 ARG 76 2HH2 ARG 76 11.264 2.664 9.161 556 H ALA 77 H ALA 77 8.575 -4.811 5.171 557 HA ALA 77 HA ALA 77 10.931 -6.465 4.771 558 1HB ALA 77 1HB ALA 77 9.455 -8.126 6.134 559 2HB ALA 77 2HB ALA 77 8.562 -6.663 6.551 560 3HB ALA 77 3HB ALA 77 10.278 -6.788 6.937 561 H LEU 78 H LEU 78 8.081 -5.807 3.130 562 HA LEU 78 HA LEU 78 8.224 -8.427 1.795 563 1HB LEU 78 2HB LEU 78 5.790 -6.836 2.551 564 2HB LEU 78 1HB LEU 78 5.743 -8.045 1.283 565 HG LEU 78 HG LEU 78 4.919 -8.927 3.417 566 1HD1 LEU 78 1HD1 LEU 78 7.538 -10.132 2.536 567 2HD1 LEU 78 2HD1 LEU 78 5.949 -10.461 1.842 568 3HD1 LEU 78 3HD1 LEU 78 6.305 -10.944 3.501 569 1HD2 LEU 78 1HD2 LEU 78 7.542 -9.084 4.690 570 2HD2 LEU 78 2HD2 LEU 78 5.967 -8.696 5.379 571 3HD2 LEU 78 3HD2 LEU 78 6.909 -7.446 4.571 572 H VAL 79 H VAL 79 9.747 -6.333 0.928 573 HA VAL 79 HA VAL 79 8.523 -4.736 -1.053 574 HB VAL 79 HB VAL 79 11.407 -5.620 -0.964 575 1HG1 VAL 79 1HG1 VAL 79 10.612 -4.559 -3.070 576 2HG1 VAL 79 2HG1 VAL 79 11.874 -3.646 -2.243 577 3HG1 VAL 79 3HG1 VAL 79 10.194 -3.123 -2.136 578 1HG2 VAL 79 1HG2 VAL 79 11.622 -3.285 0.154 579 2HG2 VAL 79 2HG2 VAL 79 11.140 -4.674 1.127 580 3HG2 VAL 79 3HG2 VAL 79 9.924 -3.525 0.567 581 H ALA 80 H ALA 80 7.643 -5.407 -2.906 582 HA ALA 80 HA ALA 80 7.914 -8.025 -3.914 583 1HB ALA 80 1HB ALA 80 5.979 -7.222 -4.731 584 2HB ALA 80 2HB ALA 80 6.984 -6.641 -6.057 585 3HB ALA 80 3HB ALA 80 6.554 -5.556 -4.736 586 H ARG 81 H ARG 81 9.743 -8.825 -4.712 587 HA ARG 81 HA ARG 81 11.364 -7.114 -6.481 588 1HB ARG 81 2HB ARG 81 12.284 -9.392 -4.720 589 2HB ARG 81 1HB ARG 81 13.312 -8.464 -5.804 590 1HG ARG 81 2HG ARG 81 12.851 -6.443 -4.512 591 2HG ARG 81 1HG ARG 81 11.821 -7.373 -3.426 592 1HD ARG 81 2HD ARG 81 13.749 -8.771 -2.816 593 2HD ARG 81 1HD ARG 81 14.775 -7.804 -3.877 594 HE ARG 81 HE ARG 81 14.012 -7.168 -1.230 595 1HH1 ARG 81 1HH1 ARG 81 14.595 -5.697 -4.343 596 2HH1 ARG 81 2HH1 ARG 81 14.952 -4.139 -3.679 597 1HH2 ARG 81 1HH2 ARG 81 14.486 -5.120 -0.357 598 2HH2 ARG 81 2HH2 ARG 81 14.892 -3.812 -1.416 599 HA PRO 82 HA PRO 82 10.792 -10.135 -9.650 600 1HB PRO 82 2HB PRO 82 12.874 -9.626 -11.249 601 2HB PRO 82 1HB PRO 82 11.586 -8.440 -11.009 602 1HG PRO 82 2HG PRO 82 14.310 -8.554 -9.784 603 2HG PRO 82 1HG PRO 82 13.414 -7.152 -10.394 604 1HD PRO 82 2HD PRO 82 13.585 -7.864 -7.733 605 2HD PRO 82 1HD PRO 82 12.286 -6.877 -8.430 606 H GLU 83 H GLU 83 12.885 -10.705 -7.252 607 HA GLU 83 HA GLU 83 14.808 -12.443 -8.277 608 1HB GLU 83 2HB GLU 83 13.430 -12.563 -5.593 609 2HB GLU 83 1HB GLU 83 14.932 -13.377 -6.004 610 1HG GLU 83 2HG GLU 83 14.517 -10.396 -5.982 611 2HG GLU 83 1HG GLU 83 15.297 -11.333 -4.708 612 H GLU 84 H GLU 84 11.540 -13.059 -7.161 613 HA GLU 84 HA GLU 84 11.711 -15.787 -8.252 614 1HB GLU 84 2HB GLU 84 9.745 -14.629 -6.267 615 2HB GLU 84 1HB GLU 84 9.731 -16.284 -6.860 616 1HG GLU 84 2HG GLU 84 11.927 -16.661 -5.859 617 2HG GLU 84 1HG GLU 84 11.939 -15.002 -5.263 618 H ARG 85 H ARG 85 9.506 -13.016 -8.000 619 HA ARG 85 HA ARG 85 8.825 -12.715 -10.618 620 1HB ARG 85 2HB ARG 85 8.013 -15.015 -10.675 621 2HB ARG 85 1HB ARG 85 6.966 -14.705 -9.297 622 1HG ARG 85 2HG ARG 85 5.654 -13.149 -10.618 623 2HG ARG 85 1HG ARG 85 6.732 -13.389 -11.995 624 1HD ARG 85 2HD ARG 85 5.032 -15.512 -10.689 625 2HD ARG 85 1HD ARG 85 4.679 -14.704 -12.216 626 HE ARG 85 HE ARG 85 7.225 -15.854 -12.385 627 1HH1 ARG 85 1HH1 ARG 85 3.884 -16.833 -12.157 628 2HH1 ARG 85 2HH1 ARG 85 4.131 -18.322 -13.004 629 1HH2 ARG 85 1HH2 ARG 85 7.553 -17.810 -13.502 630 2HH2 ARG 85 2HH2 ARG 85 6.216 -18.877 -13.769 631 H ILE 86 H ILE 86 7.666 -10.881 -10.782 632 HA ILE 86 HA ILE 86 6.421 -9.853 -8.332 633 HB ILE 86 HB ILE 86 7.143 -8.362 -10.862 634 1HG1 ILE 86 2HG1 ILE 86 8.560 -8.488 -8.192 635 2HG1 ILE 86 1HG1 ILE 86 9.121 -9.227 -9.687 636 1HG2 ILE 86 1HG2 ILE 86 6.607 -6.371 -9.736 637 2HG2 ILE 86 2HG2 ILE 86 6.526 -7.178 -8.171 638 3HG2 ILE 86 3HG2 ILE 86 5.274 -7.465 -9.377 639 1HD1 ILE 86 1HD1 ILE 86 8.756 -6.594 -10.385 640 2HD1 ILE 86 2HD1 ILE 86 10.290 -7.367 -9.986 641 3HD1 ILE 86 3HD1 ILE 86 9.388 -6.503 -8.742 Start of MODEL 17 1 H ARG 9 H ARG 9 -8.382 -15.090 -2.090 2 HA ARG 9 HA ARG 9 -7.128 -13.506 -1.043 3 1HB ARG 9 2HB ARG 9 -5.123 -15.719 -1.366 4 2HB ARG 9 1HB ARG 9 -4.639 -14.172 -0.691 5 1HG ARG 9 2HG ARG 9 -5.156 -15.824 1.037 6 2HG ARG 9 1HG ARG 9 -6.219 -14.420 1.118 7 1HD ARG 9 2HD ARG 9 -7.001 -16.939 -0.322 8 2HD ARG 9 1HD ARG 9 -7.281 -16.723 1.404 9 HE ARG 9 HE ARG 9 -8.326 -14.517 0.009 10 1HH1 ARG 9 1HH1 ARG 9 -8.943 -17.912 0.533 11 2HH1 ARG 9 2HH1 ARG 9 -10.648 -17.771 0.265 12 1HH2 ARG 9 1HH2 ARG 9 -10.567 -14.329 -0.342 13 2HH2 ARG 9 2HH2 ARG 9 -11.571 -15.737 -0.232 14 H HIS 10 H HIS 10 -4.814 -12.316 -1.333 15 HA HIS 10 HA HIS 10 -3.571 -10.909 -2.613 16 1HB HIS 10 2HB HIS 10 -2.852 -12.987 -3.756 17 2HB HIS 10 1HB HIS 10 -4.205 -12.826 -4.869 18 HD1 HIS 10 1HD HIS 10 -4.123 -10.232 -6.074 19 HD2 HIS 10 2HD HIS 10 -0.588 -12.054 -4.868 20 HE1 HIS 10 1HE HIS 10 -2.301 -9.094 -7.379 21 HE2 HIS 10 2HE HIS 10 -0.164 -10.161 -6.578 22 H GLU 11 H GLU 11 -5.425 -9.470 -2.185 23 HA GLU 11 HA GLU 11 -6.165 -8.025 -4.456 24 1HB GLU 11 2HB GLU 11 -7.639 -9.917 -4.946 25 2HB GLU 11 1HB GLU 11 -8.376 -9.772 -3.357 26 1HG GLU 11 2HG GLU 11 -9.228 -7.561 -3.953 27 2HG GLU 11 1HG GLU 11 -8.491 -7.712 -5.548 28 H LEU 12 H LEU 12 -5.339 -6.494 -2.914 29 HA LEU 12 HA LEU 12 -7.135 -5.872 -0.681 30 1HB LEU 12 2HB LEU 12 -4.333 -4.950 -1.309 31 2HB LEU 12 1HB LEU 12 -5.284 -4.331 0.027 32 HG LEU 12 HG LEU 12 -5.374 -6.592 1.004 33 1HD1 LEU 12 1HD1 LEU 12 -3.778 -7.271 -1.441 34 2HD1 LEU 12 2HD1 LEU 12 -5.211 -8.070 -0.792 35 3HD1 LEU 12 3HD1 LEU 12 -3.660 -8.233 0.033 36 1HD2 LEU 12 1HD2 LEU 12 -2.551 -5.735 0.395 37 2HD2 LEU 12 2HD2 LEU 12 -3.111 -6.650 1.794 38 3HD2 LEU 12 3HD2 LEU 12 -3.591 -4.966 1.594 39 H ILE 13 H ILE 13 -7.700 -5.261 -3.536 40 HA ILE 13 HA ILE 13 -7.545 -2.350 -3.622 41 HB ILE 13 HB ILE 13 -8.763 -4.245 -5.637 42 1HG1 ILE 13 2HG1 ILE 13 -6.365 -4.669 -5.364 43 2HG1 ILE 13 1HG1 ILE 13 -6.687 -3.908 -6.919 44 1HG2 ILE 13 1HG2 ILE 13 -8.327 -1.300 -5.548 45 2HG2 ILE 13 2HG2 ILE 13 -9.692 -2.221 -6.179 46 3HG2 ILE 13 3HG2 ILE 13 -8.189 -2.134 -7.097 47 1HD1 ILE 13 1HD1 ILE 13 -6.073 -1.719 -5.821 48 2HD1 ILE 13 2HD1 ILE 13 -4.761 -2.873 -6.065 49 3HD1 ILE 13 3HD1 ILE 13 -5.479 -2.678 -4.465 50 H GLY 14 H GLY 14 -9.312 -0.982 -3.546 51 1HA GLY 14 2HA GLY 14 -11.666 -0.545 -3.570 52 2HA GLY 14 1HA GLY 14 -11.943 -2.203 -3.063 53 H LEU 15 H LEU 15 -9.628 -1.712 -1.067 54 HA LEU 15 HA LEU 15 -11.313 -0.388 0.944 55 1HB LEU 15 2HB LEU 15 -9.910 -1.675 2.614 56 2HB LEU 15 1HB LEU 15 -11.041 -2.603 1.650 57 HG LEU 15 HG LEU 15 -8.122 -2.403 0.928 58 1HD1 LEU 15 1HD1 LEU 15 -8.767 -3.369 3.293 59 2HD1 LEU 15 2HD1 LEU 15 -7.574 -4.171 2.273 60 3HD1 LEU 15 3HD1 LEU 15 -9.229 -4.777 2.338 61 1HD2 LEU 15 1HD2 LEU 15 -10.481 -3.757 -0.127 62 2HD2 LEU 15 2HD2 LEU 15 -9.122 -4.845 0.155 63 3HD2 LEU 15 3HD2 LEU 15 -8.923 -3.438 -0.887 64 H SER 16 H SER 16 -10.220 0.816 2.638 65 HA SER 16 HA SER 16 -8.284 2.606 1.533 66 1HB SER 16 2HB SER 16 -10.017 3.422 3.054 67 2HB SER 16 1HB SER 16 -9.390 2.398 4.345 68 HG SER 16 HG SER 16 -8.196 4.061 4.798 69 H VAL 17 H VAL 17 -6.229 3.147 2.544 70 HA VAL 17 HA VAL 17 -4.986 0.973 4.056 71 HB VAL 17 HB VAL 17 -4.413 0.477 1.767 72 1HG1 VAL 17 1HG1 VAL 17 -4.244 3.348 1.540 73 2HG1 VAL 17 2HG1 VAL 17 -4.394 2.126 0.279 74 3HG1 VAL 17 3HG1 VAL 17 -2.801 2.571 0.892 75 1HG2 VAL 17 1HG2 VAL 17 -1.953 0.632 1.876 76 2HG2 VAL 17 2HG2 VAL 17 -2.664 0.093 3.398 77 3HG2 VAL 17 3HG2 VAL 17 -2.104 1.756 3.228 78 H ARG 18 H ARG 18 -4.359 1.928 5.876 79 HA ARG 18 HA ARG 18 -3.540 4.710 5.905 80 1HB ARG 18 2HB ARG 18 -4.976 3.865 7.699 81 2HB ARG 18 1HB ARG 18 -3.752 2.682 8.137 82 1HG ARG 18 2HG ARG 18 -2.225 4.485 8.753 83 2HG ARG 18 1HG ARG 18 -3.452 5.672 8.312 84 1HD ARG 18 2HD ARG 18 -4.946 4.771 10.022 85 2HD ARG 18 1HD ARG 18 -3.731 3.571 10.459 86 HE ARG 18 HE ARG 18 -3.851 6.251 11.352 87 1HH1 ARG 18 1HH1 ARG 18 -1.577 3.776 10.405 88 2HH1 ARG 18 2HH1 ARG 18 -0.272 4.450 11.321 89 1HH2 ARG 18 1HH2 ARG 18 -2.137 7.134 12.560 90 2HH2 ARG 18 2HH2 ARG 18 -0.590 6.354 12.547 91 H ILE 19 H ILE 19 -1.502 5.472 6.240 92 HA ILE 19 HA ILE 19 0.658 3.532 5.945 93 HB ILE 19 HB ILE 19 0.741 6.547 5.778 94 1HG1 ILE 19 2HG1 ILE 19 -0.574 5.541 3.969 95 2HG1 ILE 19 1HG1 ILE 19 0.944 6.196 3.355 96 1HG2 ILE 19 1HG2 ILE 19 2.823 4.449 5.657 97 2HG2 ILE 19 2HG2 ILE 19 2.928 6.126 6.195 98 3HG2 ILE 19 3HG2 ILE 19 2.937 5.750 4.471 99 1HD1 ILE 19 1HD1 ILE 19 0.615 4.104 2.286 100 2HD1 ILE 19 2HD1 ILE 19 0.232 3.306 3.814 101 3HD1 ILE 19 3HD1 ILE 19 1.878 3.857 3.495 102 H ALA 20 H ALA 20 1.473 2.742 7.773 103 HA ALA 20 HA ALA 20 1.397 4.223 10.241 104 1HB ALA 20 1HB ALA 20 2.067 1.471 9.425 105 2HB ALA 20 2HB ALA 20 1.148 2.052 10.815 106 3HB ALA 20 3HB ALA 20 2.911 2.084 10.849 107 H ARG 21 H ARG 21 3.679 3.553 7.738 108 HA ARG 21 HA ARG 21 5.456 5.572 8.619 109 1HB ARG 21 2HB ARG 21 6.129 3.787 10.182 110 2HB ARG 21 1HB ARG 21 6.465 2.736 8.815 111 1HG ARG 21 2HG ARG 21 8.514 3.670 9.681 112 2HG ARG 21 1HG ARG 21 8.201 4.287 8.057 113 1HD ARG 21 2HD ARG 21 7.310 6.353 9.010 114 2HD ARG 21 1HD ARG 21 7.600 5.736 10.636 115 HE ARG 21 HE ARG 21 10.010 5.664 9.213 116 1HH1 ARG 21 1HH1 ARG 21 7.773 7.995 10.531 117 2HH1 ARG 21 2HH1 ARG 21 8.985 9.205 10.781 118 1HH2 ARG 21 1HH2 ARG 21 11.607 7.255 9.540 119 2HH2 ARG 21 2HH2 ARG 21 11.163 8.786 10.220 120 H SER 22 H SER 22 6.898 6.164 7.045 121 HA SER 22 HA SER 22 7.046 4.532 4.622 122 1HB SER 22 2HB SER 22 5.185 6.127 4.285 123 2HB SER 22 1HB SER 22 6.296 7.463 4.583 124 HG SER 22 HG SER 22 7.419 6.916 2.737 125 H VAL 23 H VAL 23 8.695 5.362 3.076 126 HA VAL 23 HA VAL 23 11.164 5.736 4.372 127 HB VAL 23 HB VAL 23 10.997 4.663 2.182 128 1HG1 VAL 23 1HG1 VAL 23 9.200 6.143 1.300 129 2HG1 VAL 23 2HG1 VAL 23 10.529 5.881 0.168 130 3HG1 VAL 23 3HG1 VAL 23 10.416 7.399 1.059 131 1HG2 VAL 23 1HG2 VAL 23 13.131 5.660 2.860 132 2HG2 VAL 23 2HG2 VAL 23 12.664 7.178 2.093 133 3HG2 VAL 23 3HG2 VAL 23 12.912 5.733 1.111 134 H HIS 24 H HIS 24 9.102 7.997 2.563 135 HA HIS 24 HA HIS 24 10.810 10.202 3.488 136 1HB HIS 24 2HB HIS 24 10.461 9.960 1.029 137 2HB HIS 24 1HB HIS 24 8.742 10.242 1.283 138 HD1 HIS 24 1HD HIS 24 11.737 12.135 2.672 139 HD2 HIS 24 2HD HIS 24 8.362 12.743 0.331 140 HE1 HIS 24 1HE HIS 24 11.700 14.601 2.177 141 HE2 HIS 24 2HE HIS 24 9.693 14.930 0.687 142 H ARG 25 H ARG 25 10.030 11.804 4.745 143 HA ARG 25 HA ARG 25 7.832 11.341 6.377 144 1HB ARG 25 2HB ARG 25 9.709 12.765 7.024 145 2HB ARG 25 1HB ARG 25 9.225 13.956 5.824 146 1HG ARG 25 2HG ARG 25 7.127 14.317 7.024 147 2HG ARG 25 1HG ARG 25 7.615 13.124 8.228 148 1HD ARG 25 2HD ARG 25 9.557 14.499 8.803 149 2HD ARG 25 1HD ARG 25 9.067 15.694 7.601 150 HE ARG 25 HE ARG 25 8.084 15.457 10.242 151 1HH1 ARG 25 1HH1 ARG 25 7.055 16.221 6.992 152 2HH1 ARG 25 2HH1 ARG 25 5.704 17.170 7.512 153 1HH2 ARG 25 1HH2 ARG 25 6.310 16.710 10.922 154 2HH2 ARG 25 2HH2 ARG 25 5.281 17.451 9.740 155 H ASP 26 H ASP 26 8.068 13.302 3.481 156 HA ASP 26 HA ASP 26 5.667 14.680 3.659 157 1HB ASP 26 2HB ASP 26 7.394 15.117 1.939 158 2HB ASP 26 1HB ASP 26 6.933 13.622 1.131 159 H ILE 27 H ILE 27 6.206 11.352 3.044 160 HA ILE 27 HA ILE 27 3.397 10.997 2.334 161 HB ILE 27 HB ILE 27 4.073 8.779 1.418 162 1HG1 ILE 27 2HG1 ILE 27 6.863 9.884 1.820 163 2HG1 ILE 27 1HG1 ILE 27 6.162 8.524 2.689 164 1HG2 ILE 27 1HG2 ILE 27 5.059 11.361 0.288 165 2HG2 ILE 27 2HG2 ILE 27 3.715 10.346 -0.234 166 3HG2 ILE 27 3HG2 ILE 27 5.375 9.849 -0.563 167 1HD1 ILE 27 1HD1 ILE 27 6.714 8.634 -0.269 168 2HD1 ILE 27 2HD1 ILE 27 6.008 7.271 0.598 169 3HD1 ILE 27 3HD1 ILE 27 7.666 7.770 0.938 170 H GLN 28 H GLN 28 5.692 10.494 4.761 171 HA GLN 28 HA GLN 28 4.621 8.099 5.873 172 1HB GLN 28 2HB GLN 28 6.949 8.760 6.242 173 2HB GLN 28 1HB GLN 28 6.414 10.202 7.091 174 1HG GLN 28 2HG GLN 28 5.759 7.422 8.017 175 2HG GLN 28 1HG GLN 28 7.205 8.291 8.522 176 1HE2 GLN 28 1HE2 GLN 28 4.256 7.460 9.508 177 2HE2 GLN 28 2HE2 GLN 28 3.875 8.789 10.545 178 H GLY 29 H GLY 29 3.165 7.822 7.496 179 1HA GLY 29 2HA GLY 29 1.610 8.348 9.118 180 2HA GLY 29 1HA GLY 29 2.226 9.991 9.118 181 H ILE 30 H ILE 30 1.386 8.975 5.999 182 HA ILE 30 HA ILE 30 -1.086 10.509 6.182 183 HB ILE 30 HB ILE 30 0.502 9.822 3.712 184 1HG1 ILE 30 2HG1 ILE 30 0.361 12.351 5.365 185 2HG1 ILE 30 1HG1 ILE 30 1.776 11.335 5.092 186 1HG2 ILE 30 1HG2 ILE 30 -2.160 10.598 3.949 187 2HG2 ILE 30 2HG2 ILE 30 -1.169 10.646 2.492 188 3HG2 ILE 30 3HG2 ILE 30 -1.301 12.075 3.515 189 1HD1 ILE 30 1HD1 ILE 30 0.343 12.994 3.025 190 2HD1 ILE 30 2HD1 ILE 30 1.712 11.930 2.706 191 3HD1 ILE 30 3HD1 ILE 30 1.914 13.339 3.750 192 H SER 31 H SER 31 -2.989 9.549 5.946 193 HA SER 31 HA SER 31 -3.058 6.735 5.162 194 1HB SER 31 2HB SER 31 -5.371 6.773 6.034 195 2HB SER 31 1HB SER 31 -4.220 7.354 7.236 196 HG SER 31 HG SER 31 -5.153 9.234 7.199 197 H GLY 32 H GLY 32 -4.545 5.961 3.540 198 1HA GLY 32 2HA GLY 32 -6.003 7.825 1.924 199 2HA GLY 32 1HA GLY 32 -4.508 7.317 1.155 200 H ARG 33 H ARG 33 -6.043 6.547 -0.470 201 HA ARG 33 HA ARG 33 -7.180 3.952 0.250 202 1HB ARG 33 2HB ARG 33 -8.076 5.942 -1.789 203 2HB ARG 33 1HB ARG 33 -8.549 4.258 -1.878 204 1HG ARG 33 2HG ARG 33 -10.160 5.837 -0.733 205 2HG ARG 33 1HG ARG 33 -9.747 4.348 0.112 206 1HD ARG 33 2HD ARG 33 -8.295 5.494 1.595 207 2HD ARG 33 1HD ARG 33 -8.362 6.971 0.637 208 HE ARG 33 HE ARG 33 -10.955 6.319 1.479 209 1HH1 ARG 33 1HH1 ARG 33 -7.917 7.395 2.818 210 2HH1 ARG 33 2HH1 ARG 33 -8.655 8.227 4.145 211 1HH2 ARG 33 1HH2 ARG 33 -11.926 7.415 3.223 212 2HH2 ARG 33 2HH2 ARG 33 -10.929 8.240 4.375 213 H VAL 34 H VAL 34 -7.361 2.478 -1.765 214 HA VAL 34 HA VAL 34 -4.583 2.114 -2.638 215 HB VAL 34 HB VAL 34 -5.587 0.342 -1.290 216 1HG1 VAL 34 1HG1 VAL 34 -7.342 -1.061 -2.120 217 2HG1 VAL 34 2HG1 VAL 34 -7.386 -0.182 -3.647 218 3HG1 VAL 34 3HG1 VAL 34 -7.898 0.612 -2.158 219 1HG2 VAL 34 1HG2 VAL 34 -5.028 -0.595 -4.100 220 2HG2 VAL 34 2HG2 VAL 34 -4.813 -1.510 -2.608 221 3HG2 VAL 34 3HG2 VAL 34 -3.786 -0.117 -2.943 222 H VAL 35 H VAL 35 -4.002 1.229 -4.683 223 HA VAL 35 HA VAL 35 -5.984 1.448 -6.841 224 HB VAL 35 HB VAL 35 -3.178 2.325 -7.271 225 1HG1 VAL 35 1HG1 VAL 35 -3.997 1.832 -9.335 226 2HG1 VAL 35 2HG1 VAL 35 -4.477 3.524 -9.210 227 3HG1 VAL 35 3HG1 VAL 35 -5.653 2.248 -8.891 228 1HG2 VAL 35 1HG2 VAL 35 -3.526 4.300 -6.377 229 2HG2 VAL 35 2HG2 VAL 35 -5.118 3.767 -5.877 230 3HG2 VAL 35 3HG2 VAL 35 -4.902 4.542 -7.442 231 H ASP 36 H ASP 36 -2.656 0.605 -6.039 232 HA ASP 36 HA ASP 36 -2.971 -2.090 -6.937 233 1HB ASP 36 2HB ASP 36 -2.624 -0.978 -9.095 234 2HB ASP 36 1HB ASP 36 -1.139 -0.252 -8.490 235 H GLU 37 H GLU 37 -0.996 -3.372 -6.617 236 HA GLU 37 HA GLU 37 0.806 -2.151 -4.630 237 1HB GLU 37 2HB GLU 37 -0.165 -5.017 -4.748 238 2HB GLU 37 1HB GLU 37 1.001 -4.385 -3.592 239 1HG GLU 37 2HG GLU 37 -0.705 -2.885 -2.693 240 2HG GLU 37 1HG GLU 37 -1.872 -3.524 -3.847 241 H THR 38 H THR 38 2.663 -1.766 -5.712 242 HA THR 38 HA THR 38 3.590 -3.769 -7.642 243 HB THR 38 HB THR 38 4.543 -0.936 -7.206 244 HG1 THR 38 1HG THR 38 2.734 -2.054 -9.072 245 1HG2 THR 38 1HG2 THR 38 5.901 -1.099 -9.022 246 2HG2 THR 38 2HG2 THR 38 4.968 -2.411 -9.743 247 3HG2 THR 38 3HG2 THR 38 6.047 -2.737 -8.388 248 H ARG 39 H ARG 39 5.697 -4.560 -7.599 249 HA ARG 39 HA ARG 39 6.724 -5.330 -5.156 250 1HB ARG 39 2HB ARG 39 8.752 -5.976 -6.391 251 2HB ARG 39 1HB ARG 39 7.286 -6.456 -7.237 252 1HG ARG 39 2HG ARG 39 7.515 -4.465 -8.684 253 2HG ARG 39 1HG ARG 39 9.041 -4.096 -7.879 254 1HD ARG 39 2HD ARG 39 9.947 -6.248 -8.613 255 2HD ARG 39 1HD ARG 39 8.419 -6.618 -9.412 256 HE ARG 39 HE ARG 39 9.401 -4.169 -10.382 257 1HH1 ARG 39 1HH1 ARG 39 10.097 -7.586 -10.515 258 2HH1 ARG 39 2HH1 ARG 39 10.860 -7.498 -12.067 259 1HH2 ARG 39 1HH2 ARG 39 10.404 -4.051 -12.424 260 2HH2 ARG 39 2HH2 ARG 39 11.034 -5.491 -13.150 261 H ASN 40 H ASN 40 7.156 -2.315 -6.810 262 HA ASN 40 HA ASN 40 8.941 -1.472 -4.650 263 1HB ASN 40 2HB ASN 40 10.348 -0.210 -6.218 264 2HB ASN 40 1HB ASN 40 10.397 -1.937 -6.525 265 1HD2 ASN 40 1HD2 ASN 40 7.456 -0.790 -7.652 266 2HD2 ASN 40 2HD2 ASN 40 7.899 -0.536 -9.295 267 H THR 41 H THR 41 6.008 -0.978 -5.692 268 HA THR 41 HA THR 41 6.001 1.758 -4.813 269 HB THR 41 HB THR 41 4.686 2.509 -6.877 270 HG1 THR 41 1HG THR 41 4.874 1.351 -8.682 271 1HG2 THR 41 1HG2 THR 41 7.031 3.194 -6.329 272 2HG2 THR 41 2HG2 THR 41 6.593 3.244 -8.036 273 3HG2 THR 41 3HG2 THR 41 7.573 1.917 -7.418 274 H LEU 42 H LEU 42 3.916 2.615 -4.430 275 HA LEU 42 HA LEU 42 1.739 0.638 -4.419 276 1HB LEU 42 2HB LEU 42 2.819 0.725 -2.203 277 2HB LEU 42 1HB LEU 42 2.503 2.442 -2.117 278 HG LEU 42 HG LEU 42 0.947 1.119 -0.750 279 1HD1 LEU 42 1HD1 LEU 42 -0.944 2.356 -1.269 280 2HD1 LEU 42 2HD1 LEU 42 -0.673 2.239 -3.006 281 3HD1 LEU 42 3HD1 LEU 42 0.338 3.302 -2.028 282 1HD2 LEU 42 1HD2 LEU 42 -0.390 0.097 -3.214 283 2HD2 LEU 42 2HD2 LEU 42 -0.424 -0.537 -1.569 284 3HD2 LEU 42 3HD2 LEU 42 1.003 -0.776 -2.579 285 H ARG 43 H ARG 43 0.224 1.473 -5.697 286 HA ARG 43 HA ARG 43 -0.041 4.368 -5.896 287 1HB ARG 43 2HB ARG 43 0.043 2.800 -7.898 288 2HB ARG 43 1HB ARG 43 -1.575 2.291 -7.453 289 1HG ARG 43 2HG ARG 43 -2.384 4.572 -7.749 290 2HG ARG 43 1HG ARG 43 -0.753 5.105 -8.144 291 1HD ARG 43 2HD ARG 43 -0.747 3.611 -10.090 292 2HD ARG 43 1HD ARG 43 -2.384 3.091 -9.695 293 HE ARG 43 HE ARG 43 -3.144 4.957 -10.746 294 1HH1 ARG 43 1HH1 ARG 43 0.156 5.545 -9.772 295 2HH1 ARG 43 2HH1 ARG 43 0.208 7.131 -10.465 296 1HH2 ARG 43 1HH2 ARG 43 -3.073 7.041 -11.661 297 2HH2 ARG 43 2HH2 ARG 43 -1.622 7.980 -11.538 298 H ILE 44 H ILE 44 -1.495 5.473 -4.836 299 HA ILE 44 HA ILE 44 -3.568 4.105 -3.297 300 HB ILE 44 HB ILE 44 -2.368 6.867 -3.118 301 1HG1 ILE 44 2HG1 ILE 44 -2.255 4.482 -1.262 302 2HG1 ILE 44 1HG1 ILE 44 -0.952 5.054 -2.299 303 1HG2 ILE 44 1HG2 ILE 44 -4.942 6.291 -2.335 304 2HG2 ILE 44 2HG2 ILE 44 -3.945 7.624 -1.760 305 3HG2 ILE 44 3HG2 ILE 44 -4.009 6.116 -0.849 306 1HD1 ILE 44 1HD1 ILE 44 -0.256 6.141 -0.483 307 2HD1 ILE 44 2HD1 ILE 44 -1.820 5.993 0.319 308 3HD1 ILE 44 3HD1 ILE 44 -1.546 7.286 -0.849 309 H GLU 45 H GLU 45 -5.623 4.056 -4.051 310 HA GLU 45 HA GLU 45 -6.614 6.462 -5.409 311 1HB GLU 45 2HB GLU 45 -6.488 4.987 -7.233 312 2HB GLU 45 1HB GLU 45 -7.008 3.605 -6.285 313 1HG GLU 45 2HG GLU 45 -9.260 4.564 -6.160 314 2HG GLU 45 1HG GLU 45 -8.718 5.933 -7.127 315 H MET 46 H MET 46 -8.488 7.173 -4.834 316 HA MET 46 HA MET 46 -9.872 5.910 -2.584 317 1HB MET 46 2HB MET 46 -9.791 8.742 -3.624 318 2HB MET 46 1HB MET 46 -10.919 8.220 -2.386 319 1HG MET 46 2HG MET 46 -9.005 9.346 -1.424 320 2HG MET 46 1HG MET 46 -9.076 7.668 -0.911 321 1HE MET 46 1HE MET 46 -6.636 9.355 -4.224 322 2HE MET 46 2HE MET 46 -6.149 10.185 -2.751 323 3HE MET 46 3HE MET 46 -7.842 10.181 -3.241 324 H ASP 47 H ASP 47 -11.911 5.200 -2.760 325 HA ASP 47 HA ASP 47 -13.122 4.556 -5.113 326 1HB ASP 47 2HB ASP 47 -14.511 5.239 -2.518 327 2HB ASP 47 1HB ASP 47 -15.228 4.330 -3.845 328 H ASP 48 H ASP 48 -13.138 7.644 -3.558 329 HA ASP 48 HA ASP 48 -15.378 8.785 -4.816 330 1HB ASP 48 2HB ASP 48 -12.847 10.123 -3.834 331 2HB ASP 48 1HB ASP 48 -14.344 10.956 -4.245 332 H GLY 49 H GLY 49 -12.438 7.769 -6.141 333 1HA GLY 49 2HA GLY 49 -12.124 7.734 -8.503 334 2HA GLY 49 1HA GLY 49 -13.037 9.232 -8.616 335 H ARG 50 H ARG 50 -10.650 8.889 -6.143 336 HA ARG 50 HA ARG 50 -8.959 10.837 -7.563 337 1HB ARG 50 2HB ARG 50 -9.135 10.189 -4.617 338 2HB ARG 50 1HB ARG 50 -8.039 11.367 -5.320 339 1HG ARG 50 2HG ARG 50 -9.919 12.703 -6.071 340 2HG ARG 50 1HG ARG 50 -11.045 11.499 -5.443 341 1HD ARG 50 2HD ARG 50 -10.821 13.383 -3.908 342 2HD ARG 50 1HD ARG 50 -10.220 11.894 -3.182 343 HE ARG 50 HE ARG 50 -8.074 13.227 -4.387 344 1HH1 ARG 50 1HH1 ARG 50 -10.269 13.613 -1.702 345 2HH1 ARG 50 2HH1 ARG 50 -9.144 14.524 -0.752 346 1HH2 ARG 50 1HH2 ARG 50 -6.593 14.425 -3.138 347 2HH2 ARG 50 2HH2 ARG 50 -7.058 14.986 -1.566 348 H GLU 51 H GLU 51 -6.598 10.623 -7.310 349 HA GLU 51 HA GLU 51 -5.648 7.975 -6.574 350 1HB GLU 51 2HB GLU 51 -5.287 9.092 -9.358 351 2HB GLU 51 1HB GLU 51 -4.495 7.651 -8.739 352 1HG GLU 51 2HG GLU 51 -6.673 6.584 -8.438 353 2HG GLU 51 1HG GLU 51 -7.464 8.029 -9.065 354 H ILE 52 H ILE 52 -3.512 7.874 -6.048 355 HA ILE 52 HA ILE 52 -1.672 10.022 -6.577 356 HB ILE 52 HB ILE 52 -2.902 10.962 -4.677 357 1HG1 ILE 52 2HG1 ILE 52 -0.118 10.020 -3.952 358 2HG1 ILE 52 1HG1 ILE 52 -0.508 11.452 -4.905 359 1HG2 ILE 52 1HG2 ILE 52 -1.887 8.887 -2.820 360 2HG2 ILE 52 2HG2 ILE 52 -3.302 8.496 -3.797 361 3HG2 ILE 52 3HG2 ILE 52 -3.333 9.891 -2.718 362 1HD1 ILE 52 1HD1 ILE 52 0.055 12.052 -2.608 363 2HD1 ILE 52 2HD1 ILE 52 -1.237 11.008 -2.009 364 3HD1 ILE 52 3HD1 ILE 52 -1.631 12.438 -2.962 365 H THR 53 H THR 53 0.435 9.302 -6.455 366 HA THR 53 HA THR 53 0.775 6.468 -5.868 367 HB THR 53 HB THR 53 1.649 7.288 -7.979 368 HG1 THR 53 1HG THR 53 3.027 5.767 -7.544 369 1HG2 THR 53 1HG2 THR 53 3.936 8.736 -6.982 370 2HG2 THR 53 2HG2 THR 53 2.420 9.552 -6.590 371 3HG2 THR 53 3HG2 THR 53 2.801 9.155 -8.267 372 H VAL 54 H VAL 54 2.298 5.608 -4.462 373 HA VAL 54 HA VAL 54 3.874 7.362 -2.777 374 HB VAL 54 HB VAL 54 1.795 5.552 -1.537 375 1HG1 VAL 54 1HG1 VAL 54 2.559 6.820 0.557 376 2HG1 VAL 54 2HG1 VAL 54 3.979 7.268 -0.386 377 3HG1 VAL 54 3HG1 VAL 54 3.630 5.568 -0.073 378 1HG2 VAL 54 1HG2 VAL 54 0.622 7.428 -2.343 379 2HG2 VAL 54 2HG2 VAL 54 1.918 8.536 -1.895 380 3HG2 VAL 54 3HG2 VAL 54 0.931 7.781 -0.643 381 HA PRO 55 HA PRO 55 6.485 3.748 -3.422 382 1HB PRO 55 2HB PRO 55 8.232 5.111 -1.464 383 2HB PRO 55 1HB PRO 55 8.581 4.599 -3.119 384 1HG PRO 55 2HG PRO 55 8.273 7.180 -2.515 385 2HG PRO 55 1HG PRO 55 7.666 6.516 -4.046 386 1HD PRO 55 2HD PRO 55 6.163 7.172 -1.535 387 2HD PRO 55 1HD PRO 55 5.715 7.472 -3.228 388 H LYS 56 H LYS 56 6.050 1.865 -2.430 389 HA LYS 56 HA LYS 56 5.736 1.831 0.486 390 1HB LYS 56 2HB LYS 56 4.698 -0.376 0.180 391 2HB LYS 56 1HB LYS 56 3.873 0.883 -0.722 392 1HG LYS 56 2HG LYS 56 4.812 0.134 -2.777 393 2HG LYS 56 1HG LYS 56 5.909 -0.965 -1.941 394 1HD LYS 56 2HD LYS 56 2.901 -1.186 -1.879 395 2HD LYS 56 1HD LYS 56 3.943 -2.094 -2.975 396 1HE LYS 56 2HE LYS 56 5.069 -3.116 -1.060 397 2HE LYS 56 1HE LYS 56 4.041 -2.200 0.039 398 1HZ LYS 56 1HZ LYS 56 2.187 -3.382 -1.416 399 2HZ LYS 56 2HZ LYS 56 2.854 -4.105 -0.039 400 3HZ LYS 56 3HZ LYS 56 3.411 -4.541 -1.576 401 H GLY 57 H GLY 57 8.172 1.275 -1.696 402 1HA GLY 57 2HA GLY 57 9.295 -1.162 -1.089 403 2HA GLY 57 1HA GLY 57 10.239 0.277 -1.430 404 H ILE 58 H ILE 58 9.014 1.579 0.984 405 HA ILE 58 HA ILE 58 10.109 0.042 3.167 406 HB ILE 58 HB ILE 58 11.079 2.850 2.624 407 1HG1 ILE 58 2HG1 ILE 58 13.346 1.640 2.429 408 2HG1 ILE 58 1HG1 ILE 58 12.398 0.177 2.185 409 1HG2 ILE 58 1HG2 ILE 58 10.806 2.019 5.024 410 2HG2 ILE 58 2HG2 ILE 58 12.364 2.704 4.569 411 3HG2 ILE 58 3HG2 ILE 58 12.166 0.954 4.678 412 1HD1 ILE 58 1HD1 ILE 58 12.248 0.666 0.040 413 2HD1 ILE 58 2HD1 ILE 58 13.127 2.172 0.303 414 3HD1 ILE 58 3HD1 ILE 58 11.369 2.140 0.443 415 H ALA 59 H ALA 59 7.546 0.274 3.007 416 HA ALA 59 HA ALA 59 6.878 2.280 4.998 417 1HB ALA 59 1HB ALA 59 5.354 3.483 3.799 418 2HB ALA 59 2HB ALA 59 5.024 2.157 2.681 419 3HB ALA 59 3HB ALA 59 6.515 3.090 2.531 420 H VAL 60 H VAL 60 5.887 1.231 6.586 421 HA VAL 60 HA VAL 60 4.367 -1.184 6.070 422 HB VAL 60 HB VAL 60 5.765 -1.081 8.083 423 1HG1 VAL 60 1HG1 VAL 60 4.930 1.506 8.304 424 2HG1 VAL 60 2HG1 VAL 60 5.751 0.595 9.573 425 3HG1 VAL 60 3HG1 VAL 60 3.990 0.712 9.568 426 1HG2 VAL 60 1HG2 VAL 60 3.984 -1.710 9.753 427 2HG2 VAL 60 2HG2 VAL 60 3.920 -2.572 8.217 428 3HG2 VAL 60 3HG2 VAL 60 2.791 -1.254 8.538 429 H PHE 61 H PHE 61 2.178 -1.312 5.916 430 HA PHE 61 HA PHE 61 0.533 0.790 7.020 431 1HB PHE 61 2HB PHE 61 -0.625 1.109 4.752 432 2HB PHE 61 1HB PHE 61 0.916 1.912 5.013 433 HD1 PHE 61 1HD PHE 61 2.272 1.951 3.195 434 HD2 PHE 61 2HD PHE 61 -0.201 -1.454 3.817 435 HE1 PHE 61 1HE PHE 61 3.160 0.939 1.138 436 HE2 PHE 61 2HE PHE 61 0.688 -2.475 1.760 437 HZ PHE 61 HZ PHE 61 2.367 -1.278 0.420 438 H HIS 62 H HIS 62 -1.666 0.314 7.120 439 HA HIS 62 HA HIS 62 -2.295 -2.539 6.730 440 1HB HIS 62 2HB HIS 62 -3.524 -0.635 8.733 441 2HB HIS 62 1HB HIS 62 -3.762 -2.376 8.646 442 HD1 HIS 62 1HD HIS 62 -1.274 -3.708 8.898 443 HD2 HIS 62 2HD HIS 62 -1.758 0.028 10.645 444 HE1 HIS 62 1HE HIS 62 0.525 -3.546 10.645 445 HE2 HIS 62 2HE HIS 62 0.149 -1.318 11.757 446 H PHE 63 H PHE 63 -4.175 -3.083 5.666 447 HA PHE 63 HA PHE 63 -5.590 -0.859 4.393 448 1HB PHE 63 2HB PHE 63 -5.615 -3.811 3.743 449 2HB PHE 63 1HB PHE 63 -6.521 -2.582 2.871 450 HD1 PHE 63 1HD PHE 63 -3.001 -3.078 4.025 451 HD2 PHE 63 2HD PHE 63 -5.628 -1.963 0.869 452 HE1 PHE 63 1HE PHE 63 -1.072 -2.700 2.554 453 HE2 PHE 63 2HE PHE 63 -3.699 -1.583 -0.608 454 HZ PHE 63 HZ PHE 63 -1.415 -1.953 0.234 455 H ARG 64 H ARG 64 -7.449 -0.203 5.203 456 HA ARG 64 HA ARG 64 -8.952 -2.005 6.959 457 1HB ARG 64 2HB ARG 64 -9.342 0.962 6.514 458 2HB ARG 64 1HB ARG 64 -10.080 -0.018 7.775 459 1HG ARG 64 2HG ARG 64 -7.145 0.588 7.499 460 2HG ARG 64 1HG ARG 64 -8.258 1.325 8.652 461 1HD ARG 64 2HD ARG 64 -8.666 -0.894 9.638 462 2HD ARG 64 1HD ARG 64 -7.504 -1.593 8.510 463 HE ARG 64 HE ARG 64 -5.850 -0.905 9.912 464 1HH1 ARG 64 1HH1 ARG 64 -8.662 1.076 10.516 465 2HH1 ARG 64 2HH1 ARG 64 -7.907 1.974 11.788 466 1HH2 ARG 64 1HH2 ARG 64 -4.861 0.275 11.588 467 2HH2 ARG 64 2HH2 ARG 64 -5.752 1.520 12.398 468 H THR 65 H THR 65 -10.745 -2.971 6.243 469 HA THR 65 HA THR 65 -11.928 -2.032 3.733 470 HB THR 65 HB THR 65 -12.343 -4.637 5.206 471 HG1 THR 65 1HG THR 65 -10.296 -4.616 4.375 472 1HG2 THR 65 1HG2 THR 65 -13.474 -3.559 2.687 473 2HG2 THR 65 2HG2 THR 65 -14.211 -4.594 3.910 474 3HG2 THR 65 3HG2 THR 65 -13.057 -5.270 2.762 475 HA PRO 66 HA PRO 66 -15.281 -0.003 5.854 476 1HB PRO 66 2HB PRO 66 -16.747 -0.965 3.433 477 2HB PRO 66 1HB PRO 66 -16.733 0.640 4.174 478 1HG PRO 66 2HG PRO 66 -15.326 0.160 1.968 479 2HG PRO 66 1HG PRO 66 -14.675 1.193 3.255 480 1HD PRO 66 2HD PRO 66 -13.955 -1.600 2.518 481 2HD PRO 66 1HD PRO 66 -12.940 -0.312 3.194 482 H GLN 67 H GLN 67 -15.555 -3.232 4.477 483 HA GLN 67 HA GLN 67 -17.983 -3.977 5.678 484 1HB GLN 67 2HB GLN 67 -16.961 -5.258 3.859 485 2HB GLN 67 1HB GLN 67 -15.621 -5.700 4.909 486 1HG GLN 67 2HG GLN 67 -17.156 -6.924 6.358 487 2HG GLN 67 1HG GLN 67 -18.500 -6.478 5.312 488 1HE2 GLN 67 1HE2 GLN 67 -15.931 -6.942 3.303 489 2HE2 GLN 67 2HE2 GLN 67 -16.175 -8.603 2.910 490 H GLY 68 H GLY 68 -14.910 -3.415 7.039 491 1HA GLY 68 2HA GLY 68 -14.680 -3.231 9.413 492 2HA GLY 68 1HA GLY 68 -15.853 -4.529 9.590 493 H GLU 69 H GLU 69 -12.963 -4.354 7.532 494 HA GLU 69 HA GLU 69 -11.914 -6.685 9.010 495 1HB GLU 69 2HB GLU 69 -11.499 -6.046 6.086 496 2HB GLU 69 1HB GLU 69 -10.884 -7.453 6.937 497 1HG GLU 69 2HG GLU 69 -13.788 -6.807 6.475 498 2HG GLU 69 1HG GLU 69 -12.836 -7.998 5.589 499 H LEU 70 H LEU 70 -9.628 -6.866 9.210 500 HA LEU 70 HA LEU 70 -8.189 -4.316 8.879 501 1HB LEU 70 2HB LEU 70 -8.792 -4.760 11.236 502 2HB LEU 70 1HB LEU 70 -7.919 -6.277 11.160 503 HG LEU 70 HG LEU 70 -6.677 -4.466 12.314 504 1HD1 LEU 70 1HD1 LEU 70 -5.151 -5.081 9.825 505 2HD1 LEU 70 2HD1 LEU 70 -5.651 -6.401 10.883 506 3HD1 LEU 70 3HD1 LEU 70 -4.621 -5.112 11.507 507 1HD2 LEU 70 1HD2 LEU 70 -6.576 -3.206 9.576 508 2HD2 LEU 70 2HD2 LEU 70 -5.733 -2.639 11.018 509 3HD2 LEU 70 3HD2 LEU 70 -7.496 -2.596 10.952 510 H VAL 71 H VAL 71 -6.739 -4.607 7.312 511 HA VAL 71 HA VAL 71 -5.297 -7.178 7.199 512 HB VAL 71 HB VAL 71 -5.664 -5.158 4.985 513 1HG1 VAL 71 1HG1 VAL 71 -4.803 -7.047 3.567 514 2HG1 VAL 71 2HG1 VAL 71 -4.343 -7.861 5.062 515 3HG1 VAL 71 3HG1 VAL 71 -3.617 -6.309 4.641 516 1HG2 VAL 71 1HG2 VAL 71 -6.939 -7.322 4.086 517 2HG2 VAL 71 2HG2 VAL 71 -7.747 -6.059 5.015 518 3HG2 VAL 71 3HG2 VAL 71 -7.214 -7.539 5.814 519 H GLU 72 H GLU 72 -3.018 -7.099 6.613 520 HA GLU 72 HA GLU 72 -1.714 -4.545 7.254 521 1HB GLU 72 2HB GLU 72 -1.647 -5.872 9.275 522 2HB GLU 72 1HB GLU 72 -1.029 -7.259 8.390 523 1HG GLU 72 2HG GLU 72 1.028 -6.008 7.900 524 2HG GLU 72 1HG GLU 72 0.410 -4.653 8.844 525 H ILE 73 H ILE 73 0.238 -4.136 6.261 526 HA ILE 73 HA ILE 73 1.430 -6.141 4.523 527 HB ILE 73 HB ILE 73 0.470 -3.490 3.434 528 1HG1 ILE 73 2HG1 ILE 73 -1.344 -5.146 3.717 529 2HG1 ILE 73 1HG1 ILE 73 -1.024 -4.799 2.021 530 1HG2 ILE 73 1HG2 ILE 73 1.217 -4.900 1.270 531 2HG2 ILE 73 2HG2 ILE 73 2.373 -5.514 2.452 532 3HG2 ILE 73 3HG2 ILE 73 2.283 -3.785 2.124 533 1HD1 ILE 73 1HD1 ILE 73 0.242 -7.153 3.366 534 2HD1 ILE 73 2HD1 ILE 73 -0.058 -6.879 1.651 535 3HD1 ILE 73 3HD1 ILE 73 -1.403 -7.237 2.736 536 H ASP 74 H ASP 74 3.547 -6.043 4.925 537 HA ASP 74 HA ASP 74 4.657 -3.637 6.107 538 1HB ASP 74 2HB ASP 74 5.870 -6.363 5.645 539 2HB ASP 74 1HB ASP 74 6.681 -5.034 6.463 540 H GLY 75 H GLY 75 5.017 -2.118 4.612 541 1HA GLY 75 2HA GLY 75 6.042 -2.609 2.007 542 2HA GLY 75 1HA GLY 75 5.927 -1.046 2.793 543 H ARG 76 H ARG 76 7.533 -2.591 5.042 544 HA ARG 76 HA ARG 76 10.040 -1.509 4.253 545 1HB ARG 76 2HB ARG 76 9.316 -1.388 6.570 546 2HB ARG 76 1HB ARG 76 9.250 -3.142 6.660 547 1HG ARG 76 2HG ARG 76 11.234 -2.451 7.751 548 2HG ARG 76 1HG ARG 76 11.712 -3.173 6.214 549 1HD ARG 76 2HD ARG 76 12.990 -1.171 6.549 550 2HD ARG 76 1HD ARG 76 11.838 -0.894 5.243 551 HE ARG 76 HE ARG 76 10.942 0.779 6.495 552 1HH1 ARG 76 1HH1 ARG 76 12.592 -1.410 8.653 553 2HH1 ARG 76 2HH1 ARG 76 12.249 -0.471 10.067 554 1HH2 ARG 76 1HH2 ARG 76 10.495 2.017 8.352 555 2HH2 ARG 76 2HH2 ARG 76 11.061 1.474 9.896 556 H ALA 77 H ALA 77 9.286 -4.760 5.397 557 HA ALA 77 HA ALA 77 11.532 -5.778 3.877 558 1HB ALA 77 1HB ALA 77 11.858 -6.591 5.960 559 2HB ALA 77 2HB ALA 77 10.869 -7.899 5.312 560 3HB ALA 77 3HB ALA 77 10.131 -6.651 6.316 561 H LEU 78 H LEU 78 8.213 -6.776 4.544 562 HA LEU 78 HA LEU 78 8.025 -8.908 2.834 563 1HB LEU 78 2HB LEU 78 5.906 -6.885 3.527 564 2HB LEU 78 1HB LEU 78 5.579 -8.378 2.669 565 HG LEU 78 HG LEU 78 6.648 -8.140 5.484 566 1HD1 LEU 78 1HD1 LEU 78 4.445 -9.424 5.892 567 2HD1 LEU 78 2HD1 LEU 78 3.965 -8.780 4.322 568 3HD1 LEU 78 3HD1 LEU 78 4.382 -7.681 5.637 569 1HD2 LEU 78 1HD2 LEU 78 6.393 -10.594 5.544 570 2HD2 LEU 78 2HD2 LEU 78 7.633 -10.061 4.409 571 3HD2 LEU 78 3HD2 LEU 78 6.057 -10.578 3.812 572 H VAL 79 H VAL 79 8.225 -5.583 1.989 573 HA VAL 79 HA VAL 79 7.021 -5.578 -0.528 574 HB VAL 79 HB VAL 79 7.781 -3.527 0.580 575 1HG1 VAL 79 1HG1 VAL 79 9.886 -3.127 1.228 576 2HG1 VAL 79 2HG1 VAL 79 10.567 -3.737 -0.279 577 3HG1 VAL 79 3HG1 VAL 79 10.130 -4.859 1.010 578 1HG2 VAL 79 1HG2 VAL 79 7.851 -2.499 -1.397 579 2HG2 VAL 79 2HG2 VAL 79 7.881 -4.103 -2.129 580 3HG2 VAL 79 3HG2 VAL 79 9.391 -3.248 -1.818 581 H ALA 80 H ALA 80 7.411 -7.232 -1.909 582 HA ALA 80 HA ALA 80 9.812 -8.602 -2.259 583 1HB ALA 80 1HB ALA 80 7.865 -8.202 -4.503 584 2HB ALA 80 2HB ALA 80 7.457 -9.187 -3.099 585 3HB ALA 80 3HB ALA 80 8.832 -9.625 -4.115 586 H ARG 81 H ARG 81 11.369 -8.555 -3.987 587 HA ARG 81 HA ARG 81 11.700 -5.827 -5.128 588 1HB ARG 81 2HB ARG 81 13.841 -7.811 -4.329 589 2HB ARG 81 1HB ARG 81 14.135 -6.245 -5.070 590 1HG ARG 81 2HG ARG 81 13.154 -5.137 -3.128 591 2HG ARG 81 1HG ARG 81 12.855 -6.709 -2.383 592 1HD ARG 81 2HD ARG 81 14.882 -5.708 -1.479 593 2HD ARG 81 1HD ARG 81 15.264 -7.167 -2.392 594 HE ARG 81 HE ARG 81 16.557 -5.882 -3.748 595 1HH1 ARG 81 1HH1 ARG 81 14.189 -3.803 -2.242 596 2HH1 ARG 81 2HH1 ARG 81 14.790 -2.366 -2.997 597 1HH2 ARG 81 1HH2 ARG 81 17.351 -3.992 -4.734 598 2HH2 ARG 81 2HH2 ARG 81 16.586 -2.472 -4.409 599 HA PRO 82 HA PRO 82 11.777 -7.068 -9.432 600 1HB PRO 82 2HB PRO 82 14.761 -6.823 -9.187 601 2HB PRO 82 1HB PRO 82 13.703 -6.284 -10.497 602 1HG PRO 82 2HG PRO 82 14.627 -4.592 -8.596 603 2HG PRO 82 1HG PRO 82 13.052 -4.385 -9.377 604 1HD PRO 82 2HD PRO 82 13.656 -5.109 -6.612 605 2HD PRO 82 1HD PRO 82 12.107 -4.625 -7.327 606 H GLU 83 H GLU 83 14.131 -8.277 -7.228 607 HA GLU 83 HA GLU 83 14.642 -10.841 -8.351 608 1HB GLU 83 2HB GLU 83 14.941 -9.769 -5.556 609 2HB GLU 83 1HB GLU 83 15.602 -11.295 -6.119 610 1HG GLU 83 2HG GLU 83 17.016 -10.092 -7.713 611 2HG GLU 83 1HG GLU 83 16.357 -8.563 -7.133 612 H GLU 84 H GLU 84 11.835 -9.917 -7.892 613 HA GLU 84 HA GLU 84 10.422 -10.725 -5.825 614 1HB GLU 84 2HB GLU 84 9.649 -11.271 -8.691 615 2HB GLU 84 1HB GLU 84 8.536 -11.254 -7.331 616 1HG GLU 84 2HG GLU 84 9.042 -8.902 -6.937 617 2HG GLU 84 1HG GLU 84 10.167 -8.916 -8.294 618 H ARG 85 H ARG 85 12.231 -12.951 -7.732 619 HA ARG 85 HA ARG 85 10.735 -15.267 -6.860 620 1HB ARG 85 2HB ARG 85 13.598 -15.056 -7.868 621 2HB ARG 85 1HB ARG 85 12.689 -16.547 -7.664 622 1HG ARG 85 2HG ARG 85 11.128 -15.841 -9.401 623 2HG ARG 85 1HG ARG 85 12.027 -14.336 -9.600 624 1HD ARG 85 2HD ARG 85 14.015 -15.624 -10.245 625 2HD ARG 85 1HD ARG 85 13.100 -17.118 -10.063 626 HE ARG 85 HE ARG 85 12.274 -16.771 -12.153 627 1HH1 ARG 85 1HH1 ARG 85 13.291 -13.684 -10.876 628 2HH1 ARG 85 2HH1 ARG 85 12.874 -12.814 -12.314 629 1HH2 ARG 85 1HH2 ARG 85 11.734 -15.627 -14.044 630 2HH2 ARG 85 2HH2 ARG 85 11.994 -13.916 -14.112 631 H ILE 86 H ILE 86 10.662 -14.085 -4.723 632 HA ILE 86 HA ILE 86 12.815 -13.532 -3.110 633 HB ILE 86 HB ILE 86 10.099 -14.519 -2.211 634 1HG1 ILE 86 2HG1 ILE 86 9.897 -12.598 -3.693 635 2HG1 ILE 86 1HG1 ILE 86 9.566 -12.105 -2.037 636 1HG2 ILE 86 1HG2 ILE 86 11.007 -12.712 -0.355 637 2HG2 ILE 86 2HG2 ILE 86 12.468 -13.608 -0.772 638 3HG2 ILE 86 3HG2 ILE 86 11.043 -14.468 -0.184 639 1HD1 ILE 86 1HD1 ILE 86 11.496 -11.086 -3.871 640 2HD1 ILE 86 2HD1 ILE 86 12.318 -11.722 -2.445 641 3HD1 ILE 86 3HD1 ILE 86 11.061 -10.498 -2.267 Start of MODEL 18 1 H ARG 9 H ARG 9 -12.170 -11.415 -9.457 2 HA ARG 9 HA ARG 9 -9.957 -11.777 -9.087 3 1HB ARG 9 2HB ARG 9 -9.582 -10.469 -11.789 4 2HB ARG 9 1HB ARG 9 -8.360 -11.380 -10.913 5 1HG ARG 9 2HG ARG 9 -9.734 -13.392 -11.082 6 2HG ARG 9 1HG ARG 9 -10.964 -12.478 -11.954 7 1HD ARG 9 2HD ARG 9 -9.360 -12.011 -13.738 8 2HD ARG 9 1HD ARG 9 -8.118 -12.905 -12.861 9 HE ARG 9 HE ARG 9 -10.109 -13.996 -14.545 10 1HH1 ARG 9 1HH1 ARG 9 -8.373 -14.634 -11.585 11 2HH1 ARG 9 2HH1 ARG 9 -8.595 -16.348 -11.678 12 1HH2 ARG 9 1HH2 ARG 9 -10.396 -16.250 -14.672 13 2HH2 ARG 9 2HH2 ARG 9 -9.740 -17.265 -13.431 14 H HIS 10 H HIS 10 -8.508 -10.743 -7.847 15 HA HIS 10 HA HIS 10 -7.433 -9.075 -6.736 16 1HB HIS 10 2HB HIS 10 -7.953 -7.503 -9.267 17 2HB HIS 10 1HB HIS 10 -6.850 -7.026 -7.980 18 HD1 HIS 10 1HD HIS 10 -5.035 -9.194 -7.486 19 HD2 HIS 10 2HD HIS 10 -6.580 -8.610 -11.298 20 HE1 HIS 10 1HE HIS 10 -3.443 -10.363 -9.043 21 HE2 HIS 10 2HE HIS 10 -4.349 -9.917 -11.351 22 H GLU 11 H GLU 11 -9.073 -8.935 -5.166 23 HA GLU 11 HA GLU 11 -11.013 -6.756 -5.527 24 1HB GLU 11 2HB GLU 11 -10.976 -9.037 -3.543 25 2HB GLU 11 1HB GLU 11 -12.186 -7.761 -3.576 26 1HG GLU 11 2HG GLU 11 -13.053 -9.739 -4.631 27 2HG GLU 11 1HG GLU 11 -12.845 -8.467 -5.833 28 H LEU 12 H LEU 12 -8.214 -6.304 -4.925 29 HA LEU 12 HA LEU 12 -8.069 -5.597 -2.127 30 1HB LEU 12 2HB LEU 12 -6.077 -6.393 -3.275 31 2HB LEU 12 1HB LEU 12 -6.183 -5.074 -4.424 32 HG LEU 12 HG LEU 12 -5.814 -3.476 -2.544 33 1HD1 LEU 12 1HD1 LEU 12 -5.905 -5.988 -1.023 34 2HD1 LEU 12 2HD1 LEU 12 -6.279 -4.339 -0.523 35 3HD1 LEU 12 3HD1 LEU 12 -4.602 -4.883 -0.584 36 1HD2 LEU 12 1HD2 LEU 12 -3.385 -4.160 -2.204 37 2HD2 LEU 12 2HD2 LEU 12 -3.931 -3.936 -3.867 38 3HD2 LEU 12 3HD2 LEU 12 -3.759 -5.561 -3.206 39 H ILE 13 H ILE 13 -9.006 -4.072 -5.075 40 HA ILE 13 HA ILE 13 -8.599 -1.379 -4.119 41 HB ILE 13 HB ILE 13 -10.171 -2.301 -6.527 42 1HG1 ILE 13 2HG1 ILE 13 -7.883 -3.100 -6.690 43 2HG1 ILE 13 1HG1 ILE 13 -8.112 -1.754 -7.802 44 1HG2 ILE 13 1HG2 ILE 13 -9.457 0.065 -7.284 45 2HG2 ILE 13 2HG2 ILE 13 -9.208 0.364 -5.564 46 3HG2 ILE 13 3HG2 ILE 13 -10.803 -0.099 -6.156 47 1HD1 ILE 13 1HD1 ILE 13 -6.785 -1.610 -5.105 48 2HD1 ILE 13 2HD1 ILE 13 -7.016 -0.260 -6.217 49 3HD1 ILE 13 3HD1 ILE 13 -5.973 -1.609 -6.670 50 H GLY 14 H GLY 14 -10.343 0.178 -3.896 51 1HA GLY 14 2HA GLY 14 -12.646 0.711 -3.566 52 2HA GLY 14 1HA GLY 14 -12.960 -0.988 -3.249 53 H LEU 15 H LEU 15 -10.277 -0.584 -1.555 54 HA LEU 15 HA LEU 15 -11.742 0.233 0.860 55 1HB LEU 15 2HB LEU 15 -10.027 -1.098 2.089 56 2HB LEU 15 1HB LEU 15 -11.064 -2.039 1.035 57 HG LEU 15 HG LEU 15 -9.231 -2.040 -0.666 58 1HD1 LEU 15 1HD1 LEU 15 -6.923 -1.592 0.433 59 2HD1 LEU 15 2HD1 LEU 15 -7.844 -0.550 1.518 60 3HD1 LEU 15 3HD1 LEU 15 -7.856 -0.244 -0.219 61 1HD2 LEU 15 1HD2 LEU 15 -9.541 -3.976 0.702 62 2HD2 LEU 15 2HD2 LEU 15 -8.681 -3.226 2.046 63 3HD2 LEU 15 3HD2 LEU 15 -7.809 -3.664 0.577 64 H SER 16 H SER 16 -10.342 1.174 2.601 65 HA SER 16 HA SER 16 -8.715 3.295 1.436 66 1HB SER 16 2HB SER 16 -9.704 2.911 4.276 67 2HB SER 16 1HB SER 16 -8.868 4.339 3.666 68 HG SER 16 HG SER 16 -10.605 4.806 2.386 69 H VAL 17 H VAL 17 -6.659 3.897 2.422 70 HA VAL 17 HA VAL 17 -5.256 1.639 3.682 71 HB VAL 17 HB VAL 17 -4.613 1.590 1.364 72 1HG1 VAL 17 1HG1 VAL 17 -4.348 4.537 1.723 73 2HG1 VAL 17 2HG1 VAL 17 -5.085 3.620 0.407 74 3HG1 VAL 17 3HG1 VAL 17 -3.328 3.722 0.536 75 1HG2 VAL 17 1HG2 VAL 17 -2.865 1.416 3.259 76 2HG2 VAL 17 2HG2 VAL 17 -2.310 2.986 2.679 77 3HG2 VAL 17 3HG2 VAL 17 -2.298 1.594 1.597 78 H ARG 18 H ARG 18 -3.812 2.144 5.261 79 HA ARG 18 HA ARG 18 -3.215 4.981 5.745 80 1HB ARG 18 2HB ARG 18 -4.130 2.990 7.830 81 2HB ARG 18 1HB ARG 18 -3.550 4.615 8.172 82 1HG ARG 18 2HG ARG 18 -5.414 5.556 6.917 83 2HG ARG 18 1HG ARG 18 -5.993 3.931 6.550 84 1HD ARG 18 2HD ARG 18 -6.303 3.504 8.940 85 2HD ARG 18 1HD ARG 18 -5.713 5.125 9.308 86 HE ARG 18 HE ARG 18 -7.808 5.894 8.880 87 1HH1 ARG 18 1HH1 ARG 18 -7.421 2.856 7.203 88 2HH1 ARG 18 2HH1 ARG 18 -9.030 2.863 6.564 89 1HH2 ARG 18 1HH2 ARG 18 -9.925 5.900 8.044 90 2HH2 ARG 18 2HH2 ARG 18 -10.452 4.588 7.042 91 H ILE 19 H ILE 19 -1.087 5.270 5.827 92 HA ILE 19 HA ILE 19 0.650 2.984 6.301 93 HB ILE 19 HB ILE 19 1.275 5.787 5.372 94 1HG1 ILE 19 2HG1 ILE 19 1.837 4.636 3.241 95 2HG1 ILE 19 1HG1 ILE 19 1.277 3.119 3.940 96 1HG2 ILE 19 1HG2 ILE 19 3.486 4.327 4.771 97 2HG2 ILE 19 2HG2 ILE 19 3.022 3.629 6.323 98 3HG2 ILE 19 3HG2 ILE 19 3.324 5.362 6.191 99 1HD1 ILE 19 1HD1 ILE 19 -0.532 5.507 3.758 100 2HD1 ILE 19 2HD1 ILE 19 -0.961 3.806 3.929 101 3HD1 ILE 19 3HD1 ILE 19 -0.321 4.405 2.396 102 H ALA 20 H ALA 20 1.984 2.729 8.011 103 HA ALA 20 HA ALA 20 1.646 4.597 10.235 104 1HB ALA 20 1HB ALA 20 2.428 1.720 10.055 105 2HB ALA 20 2HB ALA 20 1.158 2.475 11.017 106 3HB ALA 20 3HB ALA 20 2.847 2.665 11.483 107 H ARG 21 H ARG 21 4.069 3.156 8.194 108 HA ARG 21 HA ARG 21 5.934 5.229 8.935 109 1HB ARG 21 2HB ARG 21 6.482 3.415 10.486 110 2HB ARG 21 1HB ARG 21 6.667 2.312 9.132 111 1HG ARG 21 2HG ARG 21 8.828 3.023 9.916 112 2HG ARG 21 1HG ARG 21 8.533 3.666 8.298 113 1HD ARG 21 2HD ARG 21 7.893 5.820 9.275 114 2HD ARG 21 1HD ARG 21 8.191 5.178 10.888 115 HE ARG 21 HE ARG 21 10.123 6.222 9.108 116 1HH1 ARG 21 1HH1 ARG 21 9.661 3.710 11.489 117 2HH1 ARG 21 2HH1 ARG 21 11.350 3.571 11.849 118 1HH2 ARG 21 1HH2 ARG 21 12.341 6.042 9.586 119 2HH2 ARG 21 2HH2 ARG 21 12.869 4.897 10.772 120 H SER 22 H SER 22 7.437 5.689 7.361 121 HA SER 22 HA SER 22 7.374 4.091 4.908 122 1HB SER 22 2HB SER 22 6.906 7.080 5.001 123 2HB SER 22 1HB SER 22 7.117 6.128 3.531 124 HG SER 22 HG SER 22 5.052 5.809 3.647 125 H VAL 23 H VAL 23 9.082 4.742 3.354 126 HA VAL 23 HA VAL 23 11.586 5.026 4.725 127 HB VAL 23 HB VAL 23 11.372 3.539 2.784 128 1HG1 VAL 23 1HG1 VAL 23 11.368 5.813 0.878 129 2HG1 VAL 23 2HG1 VAL 23 9.834 5.386 1.636 130 3HG1 VAL 23 3HG1 VAL 23 10.721 4.183 0.698 131 1HG2 VAL 23 1HG2 VAL 23 13.411 4.210 1.621 132 2HG2 VAL 23 2HG2 VAL 23 13.567 4.467 3.359 133 3HG2 VAL 23 3HG2 VAL 23 13.268 5.836 2.288 134 H HIS 24 H HIS 24 9.465 7.097 2.894 135 HA HIS 24 HA HIS 24 11.428 9.281 3.081 136 1HB HIS 24 2HB HIS 24 9.049 9.030 1.229 137 2HB HIS 24 1HB HIS 24 10.189 10.371 1.267 138 HD1 HIS 24 1HD HIS 24 12.847 9.309 1.004 139 HD2 HIS 24 2HD HIS 24 9.645 7.378 -0.809 140 HE1 HIS 24 1HE HIS 24 13.856 7.908 -0.824 141 HE2 HIS 24 2HE HIS 24 11.889 6.831 -1.972 142 H ARG 25 H ARG 25 10.923 11.123 4.147 143 HA ARG 25 HA ARG 25 8.867 11.054 6.075 144 1HB ARG 25 2HB ARG 25 10.958 12.227 6.471 145 2HB ARG 25 1HB ARG 25 10.605 13.345 5.160 146 1HG ARG 25 2HG ARG 25 8.655 14.168 6.408 147 2HG ARG 25 1HG ARG 25 9.066 13.077 7.735 148 1HD ARG 25 2HD ARG 25 11.217 14.206 8.001 149 2HD ARG 25 1HD ARG 25 10.824 15.284 6.662 150 HE ARG 25 HE ARG 25 8.795 15.469 8.584 151 1HH1 ARG 25 1HH1 ARG 25 12.166 16.279 8.191 152 2HH1 ARG 25 2HH1 ARG 25 12.100 17.622 9.281 153 1HH2 ARG 25 1HH2 ARG 25 8.706 17.235 10.019 154 2HH2 ARG 25 2HH2 ARG 25 10.136 18.164 10.321 155 H ASP 26 H ASP 26 8.939 12.305 2.851 156 HA ASP 26 HA ASP 26 6.743 14.097 3.211 157 1HB ASP 26 2HB ASP 26 6.801 14.372 0.780 158 2HB ASP 26 1HB ASP 26 8.412 14.518 1.475 159 H ILE 27 H ILE 27 6.789 10.817 3.243 160 HA ILE 27 HA ILE 27 4.051 10.686 2.252 161 HB ILE 27 HB ILE 27 4.452 8.418 1.400 162 1HG1 ILE 27 2HG1 ILE 27 7.336 9.039 2.077 163 2HG1 ILE 27 1HG1 ILE 27 6.332 7.798 2.816 164 1HG2 ILE 27 1HG2 ILE 27 6.012 9.150 -0.513 165 2HG2 ILE 27 2HG2 ILE 27 6.030 10.716 0.299 166 3HG2 ILE 27 3HG2 ILE 27 4.506 10.036 -0.273 167 1HD1 ILE 27 1HD1 ILE 27 7.924 6.888 1.186 168 2HD1 ILE 27 2HD1 ILE 27 7.153 7.847 -0.077 169 3HD1 ILE 27 3HD1 ILE 27 6.247 6.574 0.741 170 H GLN 28 H GLN 28 6.313 9.875 4.692 171 HA GLN 28 HA GLN 28 5.058 7.685 5.900 172 1HB GLN 28 2HB GLN 28 7.325 8.404 6.476 173 2HB GLN 28 1HB GLN 28 6.692 9.889 7.172 174 1HG GLN 28 2HG GLN 28 5.505 8.582 8.866 175 2HG GLN 28 1HG GLN 28 6.159 7.099 8.173 176 1HE2 GLN 28 1HE2 GLN 28 6.520 9.210 10.613 177 2HE2 GLN 28 2HE2 GLN 28 8.201 9.003 10.954 178 H GLY 29 H GLY 29 3.535 7.490 7.514 179 1HA GLY 29 2HA GLY 29 1.687 8.028 8.760 180 2HA GLY 29 1HA GLY 29 2.408 9.616 8.968 181 H ILE 30 H ILE 30 1.860 8.632 5.726 182 HA ILE 30 HA ILE 30 -0.319 10.551 5.543 183 HB ILE 30 HB ILE 30 1.367 9.372 3.337 184 1HG1 ILE 30 2HG1 ILE 30 2.673 10.827 4.805 185 2HG1 ILE 30 1HG1 ILE 30 2.413 11.602 3.243 186 1HG2 ILE 30 1HG2 ILE 30 -0.900 10.041 2.629 187 2HG2 ILE 30 2HG2 ILE 30 0.362 11.032 1.896 188 3HG2 ILE 30 3HG2 ILE 30 -0.588 11.666 3.239 189 1HD1 ILE 30 1HD1 ILE 30 0.627 12.960 4.213 190 2HD1 ILE 30 2HD1 ILE 30 2.152 13.189 5.070 191 3HD1 ILE 30 3HD1 ILE 30 0.885 12.184 5.776 192 H SER 31 H SER 31 -2.277 9.650 5.721 193 HA SER 31 HA SER 31 -2.739 6.957 4.693 194 1HB SER 31 2HB SER 31 -4.930 7.142 5.835 195 2HB SER 31 1HB SER 31 -3.586 7.456 6.933 196 HG SER 31 HG SER 31 -5.493 8.964 6.896 197 H GLY 32 H GLY 32 -4.854 6.586 3.505 198 1HA GLY 32 2HA GLY 32 -6.267 8.561 2.174 199 2HA GLY 32 1HA GLY 32 -4.867 8.216 1.169 200 H ARG 33 H ARG 33 -6.473 7.569 -0.409 201 HA ARG 33 HA ARG 33 -7.718 4.992 0.139 202 1HB ARG 33 2HB ARG 33 -8.334 7.173 -1.773 203 2HB ARG 33 1HB ARG 33 -8.805 5.537 -2.185 204 1HG ARG 33 2HG ARG 33 -10.534 6.965 -1.009 205 2HG ARG 33 1HG ARG 33 -10.249 5.349 -0.368 206 1HD ARG 33 2HD ARG 33 -10.402 6.826 1.488 207 2HD ARG 33 1HD ARG 33 -8.706 6.388 1.317 208 HE ARG 33 HE ARG 33 -9.267 8.794 -0.061 209 1HH1 ARG 33 1HH1 ARG 33 -8.818 7.510 3.148 210 2HH1 ARG 33 2HH1 ARG 33 -8.280 9.015 3.811 211 1HH2 ARG 33 1HH2 ARG 33 -8.557 10.778 0.805 212 2HH2 ARG 33 2HH2 ARG 33 -8.131 10.872 2.483 213 H VAL 34 H VAL 34 -7.825 3.526 -1.871 214 HA VAL 34 HA VAL 34 -5.033 3.015 -2.597 215 HB VAL 34 HB VAL 34 -6.202 1.303 -1.294 216 1HG1 VAL 34 1HG1 VAL 34 -8.439 1.707 -2.359 217 2HG1 VAL 34 2HG1 VAL 34 -7.991 0.011 -2.172 218 3HG1 VAL 34 3HG1 VAL 34 -7.863 0.789 -3.750 219 1HG2 VAL 34 1HG2 VAL 34 -5.532 0.315 -4.063 220 2HG2 VAL 34 2HG2 VAL 34 -5.428 -0.585 -2.549 221 3HG2 VAL 34 3HG2 VAL 34 -4.329 0.763 -2.851 222 H VAL 35 H VAL 35 -4.398 2.109 -4.617 223 HA VAL 35 HA VAL 35 -6.283 2.473 -6.842 224 HB VAL 35 HB VAL 35 -3.519 2.821 -7.655 225 1HG1 VAL 35 1HG1 VAL 35 -4.823 3.234 -9.407 226 2HG1 VAL 35 2HG1 VAL 35 -4.806 4.875 -8.763 227 3HG1 VAL 35 3HG1 VAL 35 -6.160 3.806 -8.418 228 1HG2 VAL 35 1HG2 VAL 35 -4.420 5.407 -6.734 229 2HG2 VAL 35 2HG2 VAL 35 -2.855 4.626 -6.579 230 3HG2 VAL 35 3HG2 VAL 35 -4.126 4.268 -5.427 231 H ASP 36 H ASP 36 -3.139 1.204 -5.834 232 HA ASP 36 HA ASP 36 -3.771 -1.429 -6.778 233 1HB ASP 36 2HB ASP 36 -3.046 -0.170 -8.851 234 2HB ASP 36 1HB ASP 36 -1.457 -0.019 -8.111 235 H GLU 37 H GLU 37 -1.864 -2.949 -6.448 236 HA GLU 37 HA GLU 37 -0.075 -1.994 -4.312 237 1HB GLU 37 2HB GLU 37 -1.870 -3.331 -3.292 238 2HB GLU 37 1HB GLU 37 -1.499 -4.665 -4.376 239 1HG GLU 37 2HG GLU 37 0.758 -4.796 -3.382 240 2HG GLU 37 1HG GLU 37 0.299 -3.531 -2.245 241 H THR 38 H THR 38 2.033 -2.403 -4.709 242 HA THR 38 HA THR 38 2.665 -4.478 -6.708 243 HB THR 38 HB THR 38 4.033 -1.815 -6.327 244 HG1 THR 38 1HG THR 38 1.955 -1.868 -7.444 245 1HG2 THR 38 1HG2 THR 38 5.609 -3.561 -7.041 246 2HG2 THR 38 2HG2 THR 38 5.343 -2.330 -8.276 247 3HG2 THR 38 3HG2 THR 38 4.565 -3.906 -8.420 248 H ARG 39 H ARG 39 4.689 -5.519 -6.533 249 HA ARG 39 HA ARG 39 5.376 -6.658 -4.192 250 1HB ARG 39 2HB ARG 39 7.575 -7.142 -5.143 251 2HB ARG 39 1HB ARG 39 6.271 -7.412 -6.285 252 1HG ARG 39 2HG ARG 39 7.525 -4.752 -6.389 253 2HG ARG 39 1HG ARG 39 8.536 -6.107 -6.890 254 1HD ARG 39 2HD ARG 39 6.824 -6.809 -8.473 255 2HD ARG 39 1HD ARG 39 5.792 -5.473 -7.967 256 HE ARG 39 HE ARG 39 8.258 -4.435 -8.794 257 1HH1 ARG 39 1HH1 ARG 39 5.456 -6.023 -10.137 258 2HH1 ARG 39 2HH1 ARG 39 5.621 -5.274 -11.690 259 1HH2 ARG 39 1HH2 ARG 39 8.474 -3.448 -10.836 260 2HH2 ARG 39 2HH2 ARG 39 7.332 -3.812 -12.086 261 H ASN 40 H ASN 40 6.563 -3.511 -5.294 262 HA ASN 40 HA ASN 40 7.529 -3.027 -2.586 263 1HB ASN 40 2HB ASN 40 9.699 -2.206 -3.316 264 2HB ASN 40 1HB ASN 40 9.487 -3.887 -3.778 265 1HD2 ASN 40 1HD2 ASN 40 7.599 -2.210 -5.904 266 2HD2 ASN 40 2HD2 ASN 40 8.744 -1.973 -7.165 267 H THR 41 H THR 41 5.345 -2.013 -4.335 268 HA THR 41 HA THR 41 5.756 0.773 -3.718 269 HB THR 41 HB THR 41 4.981 1.402 -6.108 270 HG1 THR 41 1HG THR 41 4.809 -0.241 -7.375 271 1HG2 THR 41 1HG2 THR 41 7.796 0.413 -5.768 272 2HG2 THR 41 2HG2 THR 41 7.186 1.958 -5.172 273 3HG2 THR 41 3HG2 THR 41 7.220 1.632 -6.906 274 H LEU 42 H LEU 42 3.885 1.962 -3.571 275 HA LEU 42 HA LEU 42 1.406 0.385 -3.788 276 1HB LEU 42 2HB LEU 42 2.273 2.383 -1.725 277 2HB LEU 42 1HB LEU 42 0.578 2.015 -1.978 278 HG LEU 42 HG LEU 42 2.698 0.023 -1.185 279 1HD1 LEU 42 1HD1 LEU 42 1.052 1.854 0.349 280 2HD1 LEU 42 2HD1 LEU 42 2.390 0.832 0.876 281 3HD1 LEU 42 3HD1 LEU 42 0.754 0.175 0.794 282 1HD2 LEU 42 1HD2 LEU 42 0.985 -1.053 -2.494 283 2HD2 LEU 42 2HD2 LEU 42 -0.282 -0.260 -1.559 284 3HD2 LEU 42 3HD2 LEU 42 0.748 -1.469 -0.795 285 H ARG 43 H ARG 43 -0.518 1.524 -4.197 286 HA ARG 43 HA ARG 43 -0.188 4.121 -5.519 287 1HB ARG 43 2HB ARG 43 -0.921 1.620 -6.721 288 2HB ARG 43 1HB ARG 43 -2.291 2.701 -6.780 289 1HG ARG 43 2HG ARG 43 0.443 3.184 -7.920 290 2HG ARG 43 1HG ARG 43 -1.056 2.905 -8.804 291 1HD ARG 43 2HD ARG 43 -1.951 5.004 -8.054 292 2HD ARG 43 1HD ARG 43 -0.559 5.276 -7.009 293 HE ARG 43 HE ARG 43 0.355 4.945 -9.629 294 1HH1 ARG 43 1HH1 ARG 43 -1.522 7.210 -7.754 295 2HH1 ARG 43 2HH1 ARG 43 -1.074 8.575 -8.718 296 1HH2 ARG 43 1HH2 ARG 43 0.947 6.739 -10.903 297 2HH2 ARG 43 2HH2 ARG 43 0.327 8.307 -10.507 298 H ILE 44 H ILE 44 -1.424 5.562 -4.518 299 HA ILE 44 HA ILE 44 -3.739 4.643 -2.969 300 HB ILE 44 HB ILE 44 -2.083 7.163 -2.805 301 1HG1 ILE 44 2HG1 ILE 44 -2.457 4.873 -0.874 302 2HG1 ILE 44 1HG1 ILE 44 -1.033 5.164 -1.870 303 1HG2 ILE 44 1HG2 ILE 44 -4.021 6.685 -0.658 304 2HG2 ILE 44 2HG2 ILE 44 -4.710 7.179 -2.202 305 3HG2 ILE 44 3HG2 ILE 44 -3.503 8.190 -1.414 306 1HD1 ILE 44 1HD1 ILE 44 -1.665 6.183 0.716 307 2HD1 ILE 44 2HD1 ILE 44 -1.493 7.524 -0.415 308 3HD1 ILE 44 3HD1 ILE 44 -0.181 6.361 -0.221 309 H GLU 45 H GLU 45 -5.540 4.685 -4.193 310 HA GLU 45 HA GLU 45 -6.112 7.162 -5.648 311 1HB GLU 45 2HB GLU 45 -5.990 5.408 -7.264 312 2HB GLU 45 1HB GLU 45 -6.963 4.330 -6.286 313 1HG GLU 45 2HG GLU 45 -8.827 6.068 -6.572 314 2HG GLU 45 1HG GLU 45 -7.818 6.741 -7.848 315 H MET 46 H MET 46 -7.913 8.170 -5.300 316 HA MET 46 HA MET 46 -9.652 7.286 -3.106 317 1HB MET 46 2HB MET 46 -9.003 10.017 -4.220 318 2HB MET 46 1HB MET 46 -10.280 9.742 -3.051 319 1HG MET 46 2HG MET 46 -8.241 10.574 -2.012 320 2HG MET 46 1HG MET 46 -8.678 8.980 -1.421 321 1HE MET 46 1HE MET 46 -5.854 9.961 -4.656 322 2HE MET 46 2HE MET 46 -5.103 10.650 -3.218 323 3HE MET 46 3HE MET 46 -6.751 11.101 -3.656 324 H ASP 47 H ASP 47 -11.801 7.028 -3.415 325 HA ASP 47 HA ASP 47 -12.886 6.475 -5.863 326 1HB ASP 47 2HB ASP 47 -15.114 6.753 -4.794 327 2HB ASP 47 1HB ASP 47 -13.992 5.798 -3.829 328 H ASP 48 H ASP 48 -12.404 9.590 -4.454 329 HA ASP 48 HA ASP 48 -14.271 11.060 -5.970 330 1HB ASP 48 2HB ASP 48 -11.637 11.936 -4.768 331 2HB ASP 48 1HB ASP 48 -12.856 13.026 -5.418 332 H GLY 49 H GLY 49 -11.495 9.404 -6.935 333 1HA GLY 49 2HA GLY 49 -10.974 9.158 -9.248 334 2HA GLY 49 1HA GLY 49 -11.538 10.800 -9.517 335 H ARG 50 H ARG 50 -9.517 10.121 -6.799 336 HA ARG 50 HA ARG 50 -7.332 11.601 -8.105 337 1HB ARG 50 2HB ARG 50 -7.867 11.146 -5.167 338 2HB ARG 50 1HB ARG 50 -6.538 12.087 -5.825 339 1HG ARG 50 2HG ARG 50 -8.111 13.681 -6.772 340 2HG ARG 50 1HG ARG 50 -9.463 12.721 -6.166 341 1HD ARG 50 2HD ARG 50 -8.657 13.079 -3.867 342 2HD ARG 50 1HD ARG 50 -7.348 14.079 -4.497 343 HE ARG 50 HE ARG 50 -9.756 15.124 -5.438 344 1HH1 ARG 50 1HH1 ARG 50 -8.089 14.689 -2.403 345 2HH1 ARG 50 2HH1 ARG 50 -8.820 16.072 -1.659 346 1HH2 ARG 50 1HH2 ARG 50 -10.721 16.942 -4.460 347 2HH2 ARG 50 2HH2 ARG 50 -10.315 17.350 -2.826 348 H GLU 51 H GLU 51 -5.108 10.925 -7.625 349 HA GLU 51 HA GLU 51 -4.750 8.215 -6.651 350 1HB GLU 51 2HB GLU 51 -4.023 8.982 -9.482 351 2HB GLU 51 1HB GLU 51 -3.604 7.462 -8.702 352 1HG GLU 51 2HG GLU 51 -5.978 6.921 -8.492 353 2HG GLU 51 1HG GLU 51 -6.391 8.443 -9.282 354 H ILE 52 H ILE 52 -2.736 7.853 -5.832 355 HA ILE 52 HA ILE 52 -0.487 9.522 -6.538 356 HB ILE 52 HB ILE 52 -1.603 10.954 -4.906 357 1HG1 ILE 52 2HG1 ILE 52 0.902 9.650 -3.813 358 2HG1 ILE 52 1HG1 ILE 52 0.850 10.954 -5.001 359 1HG2 ILE 52 1HG2 ILE 52 -2.229 10.324 -2.779 360 2HG2 ILE 52 2HG2 ILE 52 -1.132 8.943 -2.752 361 3HG2 ILE 52 3HG2 ILE 52 -2.608 8.879 -3.716 362 1HD1 ILE 52 1HD1 ILE 52 -0.115 11.129 -2.144 363 2HD1 ILE 52 2HD1 ILE 52 -0.165 12.432 -3.331 364 3HD1 ILE 52 3HD1 ILE 52 1.389 11.805 -2.776 365 H THR 53 H THR 53 1.192 8.185 -6.638 366 HA THR 53 HA THR 53 1.121 5.600 -5.384 367 HB THR 53 HB THR 53 2.035 5.827 -7.621 368 HG1 THR 53 1HG THR 53 4.071 5.202 -5.749 369 1HG2 THR 53 1HG2 THR 53 4.229 6.885 -7.985 370 2HG2 THR 53 2HG2 THR 53 4.140 7.568 -6.362 371 3HG2 THR 53 3HG2 THR 53 2.958 8.040 -7.585 372 H VAL 54 H VAL 54 2.733 4.730 -3.987 373 HA VAL 54 HA VAL 54 4.493 6.568 -2.585 374 HB VAL 54 HB VAL 54 2.385 5.013 -1.077 375 1HG1 VAL 54 1HG1 VAL 54 4.452 6.968 -0.070 376 2HG1 VAL 54 2HG1 VAL 54 4.547 5.215 0.095 377 3HG1 VAL 54 3HG1 VAL 54 3.259 6.110 0.904 378 1HG2 VAL 54 1HG2 VAL 54 2.645 7.959 -1.662 379 2HG2 VAL 54 2HG2 VAL 54 1.570 7.294 -0.432 380 3HG2 VAL 54 3HG2 VAL 54 1.330 6.882 -2.131 381 HA PRO 55 HA PRO 55 6.938 2.810 -2.957 382 1HB PRO 55 2HB PRO 55 8.693 4.242 -1.043 383 2HB PRO 55 1HB PRO 55 9.076 3.549 -2.622 384 1HG PRO 55 2HG PRO 55 8.880 6.186 -2.298 385 2HG PRO 55 1HG PRO 55 8.287 5.399 -3.772 386 1HD PRO 55 2HD PRO 55 6.749 6.421 -1.418 387 2HD PRO 55 1HD PRO 55 6.354 6.504 -3.148 388 H LYS 56 H LYS 56 6.244 1.064 -1.888 389 HA LYS 56 HA LYS 56 5.981 1.165 1.028 390 1HB LYS 56 2HB LYS 56 4.646 -0.848 0.854 391 2HB LYS 56 1HB LYS 56 4.018 0.396 -0.214 392 1HG LYS 56 2HG LYS 56 4.820 -0.690 -2.133 393 2HG LYS 56 1HG LYS 56 5.876 -1.743 -1.193 394 1HD LYS 56 2HD LYS 56 2.860 -1.799 -1.098 395 2HD LYS 56 1HD LYS 56 3.857 -2.896 -2.052 396 1HE LYS 56 2HE LYS 56 4.938 -3.675 0.012 397 2HE LYS 56 1HE LYS 56 3.900 -2.606 0.950 398 1HZ LYS 56 1HZ LYS 56 2.887 -4.695 1.036 399 2HZ LYS 56 2HZ LYS 56 3.127 -4.995 -0.610 400 3HZ LYS 56 3HZ LYS 56 1.988 -3.844 -0.118 401 H GLY 57 H GLY 57 8.309 0.289 -1.148 402 1HA GLY 57 2HA GLY 57 9.152 -2.246 -0.540 403 2HA GLY 57 1HA GLY 57 10.256 -0.921 -0.874 404 H ILE 58 H ILE 58 9.153 0.481 1.582 405 HA ILE 58 HA ILE 58 10.039 -1.191 3.752 406 HB ILE 58 HB ILE 58 11.417 1.454 3.287 407 1HG1 ILE 58 2HG1 ILE 58 13.479 -0.090 3.006 408 2HG1 ILE 58 1HG1 ILE 58 12.303 -1.354 2.657 409 1HG2 ILE 58 1HG2 ILE 58 12.226 -0.694 5.219 410 2HG2 ILE 58 2HG2 ILE 58 11.039 0.537 5.642 411 3HG2 ILE 58 3HG2 ILE 58 12.680 1.010 5.203 412 1HD1 ILE 58 1HD1 ILE 58 11.607 0.867 1.077 413 2HD1 ILE 58 2HD1 ILE 58 12.266 -0.683 0.555 414 3HD1 ILE 58 3HD1 ILE 58 13.352 0.653 0.936 415 H ALA 59 H ALA 59 7.550 -0.581 3.640 416 HA ALA 59 HA ALA 59 7.218 1.542 5.603 417 1HB ALA 59 1HB ALA 59 5.373 2.587 4.338 418 2HB ALA 59 2HB ALA 59 5.761 1.538 2.976 419 3HB ALA 59 3HB ALA 59 6.937 2.726 3.537 420 H VAL 60 H VAL 60 6.169 0.635 7.251 421 HA VAL 60 HA VAL 60 4.369 -1.582 6.904 422 HB VAL 60 HB VAL 60 5.737 -1.392 8.936 423 1HG1 VAL 60 1HG1 VAL 60 5.886 0.456 10.170 424 2HG1 VAL 60 2HG1 VAL 60 4.132 0.608 10.286 425 3HG1 VAL 60 3HG1 VAL 60 4.984 1.274 8.893 426 1HG2 VAL 60 1HG2 VAL 60 3.815 -1.639 10.609 427 2HG2 VAL 60 2HG2 VAL 60 3.851 -2.742 9.233 428 3HG2 VAL 60 3HG2 VAL 60 2.751 -1.364 9.230 429 H PHE 61 H PHE 61 2.134 -1.537 6.812 430 HA PHE 61 HA PHE 61 0.740 0.891 7.548 431 1HB PHE 61 2HB PHE 61 -0.314 1.177 5.327 432 2HB PHE 61 1HB PHE 61 1.421 1.469 5.304 433 HD1 PHE 61 1HD PHE 61 -1.032 -1.275 4.713 434 HD2 PHE 61 2HD PHE 61 2.682 0.506 3.648 435 HE1 PHE 61 1HE PHE 61 -0.784 -2.893 2.879 436 HE2 PHE 61 2HE PHE 61 2.934 -1.110 1.811 437 HZ PHE 61 HZ PHE 61 1.199 -2.811 1.423 438 H HIS 62 H HIS 62 -1.603 0.682 7.381 439 HA HIS 62 HA HIS 62 -2.470 -2.125 7.501 440 1HB HIS 62 2HB HIS 62 -2.309 -1.161 9.748 441 2HB HIS 62 1HB HIS 62 -3.363 0.162 9.264 442 HD1 HIS 62 1HD HIS 62 -3.772 -3.592 8.822 443 HD2 HIS 62 2HD HIS 62 -5.708 -0.330 10.513 444 HE1 HIS 62 1HE HIS 62 -5.916 -4.496 9.762 445 HE2 HIS 62 2HE HIS 62 -6.980 -2.540 10.933 446 H PHE 63 H PHE 63 -4.074 -2.640 6.203 447 HA PHE 63 HA PHE 63 -5.523 -0.534 4.795 448 1HB PHE 63 2HB PHE 63 -5.057 -3.455 4.295 449 2HB PHE 63 1HB PHE 63 -6.410 -2.643 3.519 450 HD1 PHE 63 1HD PHE 63 -5.677 -2.861 1.290 451 HD2 PHE 63 2HD PHE 63 -3.140 -1.065 4.198 452 HE1 PHE 63 1HE PHE 63 -4.191 -2.070 -0.502 453 HE2 PHE 63 2HE PHE 63 -1.652 -0.271 2.408 454 HZ PHE 63 HZ PHE 63 -2.173 -0.773 0.056 455 H ARG 64 H ARG 64 -7.768 -0.426 4.722 456 HA ARG 64 HA ARG 64 -9.239 -2.145 6.591 457 1HB ARG 64 2HB ARG 64 -9.156 0.864 6.558 458 2HB ARG 64 1HB ARG 64 -10.565 0.012 7.174 459 1HG ARG 64 2HG ARG 64 -7.775 -0.432 8.205 460 2HG ARG 64 1HG ARG 64 -8.907 0.731 8.900 461 1HD ARG 64 2HD ARG 64 -10.519 -1.143 9.227 462 2HD ARG 64 1HD ARG 64 -9.258 -2.257 8.698 463 HE ARG 64 HE ARG 64 -8.199 -0.738 10.769 464 1HH1 ARG 64 1HH1 ARG 64 -10.769 -3.054 10.306 465 2HH1 ARG 64 2HH1 ARG 64 -10.685 -3.657 11.927 466 1HH2 ARG 64 1HH2 ARG 64 -8.088 -1.532 12.901 467 2HH2 ARG 64 2HH2 ARG 64 -9.164 -2.794 13.401 468 H THR 65 H THR 65 -11.002 -2.982 5.666 469 HA THR 65 HA THR 65 -11.962 -1.796 3.166 470 HB THR 65 HB THR 65 -12.511 -4.515 4.368 471 HG1 THR 65 1HG THR 65 -10.335 -4.016 3.519 472 1HG2 THR 65 1HG2 THR 65 -13.938 -3.185 2.363 473 2HG2 THR 65 2HG2 THR 65 -14.024 -4.891 2.805 474 3HG2 THR 65 3HG2 THR 65 -12.913 -4.361 1.542 475 HA PRO 66 HA PRO 66 -15.435 0.035 5.277 476 1HB PRO 66 2HB PRO 66 -17.116 0.002 3.046 477 2HB PRO 66 1HB PRO 66 -16.010 1.303 3.487 478 1HG PRO 66 2HG PRO 66 -15.648 -0.908 1.520 479 2HG PRO 66 1HG PRO 66 -15.108 0.778 1.428 480 1HD PRO 66 2HD PRO 66 -13.396 -1.193 1.999 481 2HD PRO 66 1HD PRO 66 -13.266 0.392 2.793 482 H GLN 67 H GLN 67 -15.569 -2.953 3.480 483 HA GLN 67 HA GLN 67 -18.197 -3.723 4.182 484 1HB GLN 67 2HB GLN 67 -15.808 -5.444 3.498 485 2HB GLN 67 1HB GLN 67 -17.476 -5.998 3.553 486 1HG GLN 67 2HG GLN 67 -18.046 -4.459 1.743 487 2HG GLN 67 1HG GLN 67 -16.376 -3.906 1.689 488 1HE2 GLN 67 1HE2 GLN 67 -16.216 -7.122 2.385 489 2HE2 GLN 67 2HE2 GLN 67 -16.062 -7.750 0.786 490 H GLY 68 H GLY 68 -15.399 -3.411 6.061 491 1HA GLY 68 2HA GLY 68 -15.542 -3.609 8.442 492 2HA GLY 68 1HA GLY 68 -16.683 -4.930 8.225 493 H GLU 69 H GLU 69 -13.632 -4.536 6.506 494 HA GLU 69 HA GLU 69 -12.580 -6.862 7.982 495 1HB GLU 69 2HB GLU 69 -12.301 -6.329 5.019 496 2HB GLU 69 1HB GLU 69 -11.550 -7.657 5.892 497 1HG GLU 69 2HG GLU 69 -13.753 -8.546 6.446 498 2HG GLU 69 1HG GLU 69 -14.510 -7.211 5.580 499 H LEU 70 H LEU 70 -10.306 -6.983 8.197 500 HA LEU 70 HA LEU 70 -8.907 -4.446 7.704 501 1HB LEU 70 2HB LEU 70 -7.846 -4.551 9.797 502 2HB LEU 70 1HB LEU 70 -9.530 -4.910 10.102 503 HG LEU 70 HG LEU 70 -8.200 -6.337 11.477 504 1HD1 LEU 70 1HD1 LEU 70 -9.138 -8.407 10.991 505 2HD1 LEU 70 2HD1 LEU 70 -9.059 -8.144 9.249 506 3HD1 LEU 70 3HD1 LEU 70 -10.234 -7.258 10.224 507 1HD2 LEU 70 1HD2 LEU 70 -6.237 -7.221 10.903 508 2HD2 LEU 70 2HD2 LEU 70 -6.341 -6.257 9.430 509 3HD2 LEU 70 3HD2 LEU 70 -6.898 -7.929 9.431 510 H VAL 71 H VAL 71 -6.762 -4.542 7.058 511 HA VAL 71 HA VAL 71 -5.553 -7.185 6.703 512 HB VAL 71 HB VAL 71 -5.906 -5.226 4.436 513 1HG1 VAL 71 1HG1 VAL 71 -4.878 -7.028 3.064 514 2HG1 VAL 71 2HG1 VAL 71 -4.506 -7.896 4.554 515 3HG1 VAL 71 3HG1 VAL 71 -3.773 -6.322 4.242 516 1HG2 VAL 71 1HG2 VAL 71 -7.057 -7.439 3.525 517 2HG2 VAL 71 2HG2 VAL 71 -7.946 -6.233 4.457 518 3HG2 VAL 71 3HG2 VAL 71 -7.343 -7.689 5.248 519 H GLU 72 H GLU 72 -3.747 -6.898 7.889 520 HA GLU 72 HA GLU 72 -2.253 -4.399 7.753 521 1HB GLU 72 2HB GLU 72 -1.785 -6.919 9.361 522 2HB GLU 72 1HB GLU 72 -0.821 -5.455 9.488 523 1HG GLU 72 2HG GLU 72 -2.723 -4.223 10.304 524 2HG GLU 72 1HG GLU 72 -3.770 -5.621 10.068 525 H ILE 73 H ILE 73 -0.137 -4.195 6.951 526 HA ILE 73 HA ILE 73 1.145 -6.540 5.799 527 HB ILE 73 HB ILE 73 0.451 -4.155 4.085 528 1HG1 ILE 73 2HG1 ILE 73 -0.535 -7.012 3.993 529 2HG1 ILE 73 1HG1 ILE 73 -1.483 -5.605 4.465 530 1HG2 ILE 73 1HG2 ILE 73 2.465 -4.824 3.215 531 2HG2 ILE 73 2HG2 ILE 73 1.358 -5.849 2.303 532 3HG2 ILE 73 3HG2 ILE 73 2.232 -6.507 3.688 533 1HD1 ILE 73 1HD1 ILE 73 -0.371 -6.209 1.734 534 2HD1 ILE 73 2HD1 ILE 73 -1.167 -4.699 2.174 535 3HD1 ILE 73 3HD1 ILE 73 -2.065 -6.216 2.226 536 H ASP 74 H ASP 74 3.317 -6.407 5.907 537 HA ASP 74 HA ASP 74 4.439 -3.969 7.044 538 1HB ASP 74 2HB ASP 74 5.646 -6.719 6.697 539 2HB ASP 74 1HB ASP 74 6.420 -5.367 7.519 540 H GLY 75 H GLY 75 4.843 -2.522 5.450 541 1HA GLY 75 2HA GLY 75 5.704 -3.060 2.856 542 2HA GLY 75 1HA GLY 75 5.945 -1.543 3.694 543 H ARG 76 H ARG 76 7.466 -3.413 5.749 544 HA ARG 76 HA ARG 76 10.017 -3.013 4.455 545 1HB ARG 76 2HB ARG 76 9.695 -2.176 6.753 546 2HB ARG 76 1HB ARG 76 9.374 -3.816 7.295 547 1HG ARG 76 2HG ARG 76 11.965 -3.149 5.962 548 2HG ARG 76 1HG ARG 76 11.713 -2.775 7.666 549 1HD ARG 76 2HD ARG 76 11.521 -5.495 6.371 550 2HD ARG 76 1HD ARG 76 12.797 -4.926 7.440 551 HE ARG 76 HE ARG 76 10.359 -4.686 8.784 552 1HH1 ARG 76 1HH1 ARG 76 12.472 -7.179 7.559 553 2HH1 ARG 76 2HH1 ARG 76 11.991 -8.344 8.747 554 1HH2 ARG 76 1HH2 ARG 76 9.727 -6.217 10.349 555 2HH2 ARG 76 2HH2 ARG 76 10.434 -7.798 10.331 556 H ALA 77 H ALA 77 7.961 -5.534 5.645 557 HA ALA 77 HA ALA 77 9.900 -7.591 5.007 558 1HB ALA 77 1HB ALA 77 8.482 -9.122 6.137 559 2HB ALA 77 2HB ALA 77 7.131 -7.990 6.107 560 3HB ALA 77 3HB ALA 77 8.538 -7.657 7.116 561 H LEU 78 H LEU 78 7.743 -5.845 3.283 562 HA LEU 78 HA LEU 78 6.973 -8.100 1.566 563 1HB LEU 78 2HB LEU 78 5.695 -5.459 2.125 564 2HB LEU 78 1HB LEU 78 5.422 -6.226 0.573 565 HG LEU 78 HG LEU 78 3.598 -6.760 2.048 566 1HD1 LEU 78 1HD1 LEU 78 4.991 -9.345 2.179 567 2HD1 LEU 78 2HD1 LEU 78 4.961 -8.576 0.593 568 3HD1 LEU 78 3HD1 LEU 78 3.450 -8.915 1.436 569 1HD2 LEU 78 1HD2 LEU 78 4.201 -8.280 4.069 570 2HD2 LEU 78 2HD2 LEU 78 4.328 -6.527 4.223 571 3HD2 LEU 78 3HD2 LEU 78 5.776 -7.496 3.955 572 H VAL 79 H VAL 79 9.569 -7.068 1.503 573 HA VAL 79 HA VAL 79 10.207 -5.121 -0.316 574 HB VAL 79 HB VAL 79 11.881 -6.372 0.976 575 1HG1 VAL 79 1HG1 VAL 79 11.808 -8.594 -1.015 576 2HG1 VAL 79 2HG1 VAL 79 10.698 -8.615 0.356 577 3HG1 VAL 79 3HG1 VAL 79 12.440 -8.577 0.631 578 1HG2 VAL 79 1HG2 VAL 79 12.478 -5.089 -1.097 579 2HG2 VAL 79 2HG2 VAL 79 12.478 -6.622 -1.966 580 3HG2 VAL 79 3HG2 VAL 79 13.621 -6.356 -0.649 581 H ALA 80 H ALA 80 10.976 -5.323 -2.579 582 HA ALA 80 HA ALA 80 9.020 -6.028 -4.347 583 1HB ALA 80 1HB ALA 80 11.993 -5.857 -4.763 584 2HB ALA 80 2HB ALA 80 10.773 -4.627 -5.087 585 3HB ALA 80 3HB ALA 80 10.847 -6.078 -6.085 586 H ARG 81 H ARG 81 9.011 -7.693 -6.065 587 HA ARG 81 HA ARG 81 8.860 -10.239 -4.992 588 1HB ARG 81 2HB ARG 81 8.880 -9.208 -7.801 589 2HB ARG 81 1HB ARG 81 8.890 -10.940 -7.499 590 1HG ARG 81 2HG ARG 81 6.823 -9.044 -6.423 591 2HG ARG 81 1HG ARG 81 6.633 -10.006 -7.887 592 1HD ARG 81 2HD ARG 81 6.893 -12.053 -6.579 593 2HD ARG 81 1HD ARG 81 7.113 -11.099 -5.114 594 HE ARG 81 HE ARG 81 4.652 -11.825 -6.296 595 1HH1 ARG 81 1HH1 ARG 81 6.216 -9.193 -4.618 596 2HH1 ARG 81 2HH1 ARG 81 4.731 -8.529 -4.023 597 1HH2 ARG 81 1HH2 ARG 81 2.702 -10.953 -5.508 598 2HH2 ARG 81 2HH2 ARG 81 2.739 -9.527 -4.525 599 HA PRO 82 HA PRO 82 13.253 -11.201 -5.284 600 1HB PRO 82 2HB PRO 82 13.265 -13.320 -3.657 601 2HB PRO 82 1HB PRO 82 13.063 -11.680 -3.025 602 1HG PRO 82 2HG PRO 82 11.004 -13.792 -3.512 603 2HG PRO 82 1HG PRO 82 11.150 -12.661 -2.156 604 1HD PRO 82 2HD PRO 82 9.459 -12.321 -4.319 605 2HD PRO 82 1HD PRO 82 10.033 -11.011 -3.269 606 H GLU 83 H GLU 83 10.569 -13.112 -6.251 607 HA GLU 83 HA GLU 83 12.348 -15.025 -7.599 608 1HB GLU 83 2HB GLU 83 9.421 -15.298 -6.910 609 2HB GLU 83 1HB GLU 83 10.383 -16.509 -7.748 610 1HG GLU 83 2HG GLU 83 11.813 -16.738 -5.783 611 2HG GLU 83 1HG GLU 83 10.850 -15.523 -4.944 612 H GLU 84 H GLU 84 9.952 -12.590 -8.099 613 HA GLU 84 HA GLU 84 9.613 -13.312 -10.903 614 1HB GLU 84 2HB GLU 84 8.370 -11.050 -9.331 615 2HB GLU 84 1HB GLU 84 7.946 -11.518 -10.971 616 1HG GLU 84 2HG GLU 84 7.192 -13.698 -10.148 617 2HG GLU 84 1HG GLU 84 7.593 -13.205 -8.503 618 H ARG 85 H ARG 85 12.051 -11.930 -9.431 619 HA ARG 85 HA ARG 85 13.733 -10.543 -10.074 620 1HB ARG 85 2HB ARG 85 13.487 -11.592 -12.278 621 2HB ARG 85 1HB ARG 85 12.224 -10.443 -12.694 622 1HG ARG 85 2HG ARG 85 13.834 -8.612 -12.545 623 2HG ARG 85 1HG ARG 85 15.103 -9.766 -12.127 624 1HD ARG 85 2HD ARG 85 13.526 -9.711 -14.698 625 2HD ARG 85 1HD ARG 85 15.190 -9.167 -14.493 626 HE ARG 85 HE ARG 85 15.024 -11.823 -13.636 627 1HH1 ARG 85 1HH1 ARG 85 14.764 -9.975 -16.585 628 2HH1 ARG 85 2HH1 ARG 85 15.308 -11.274 -17.593 629 1HH2 ARG 85 1HH2 ARG 85 15.741 -13.531 -14.960 630 2HH2 ARG 85 2HH2 ARG 85 15.863 -13.292 -16.671 631 H ILE 86 H ILE 86 14.226 -8.270 -10.502 632 HA ILE 86 HA ILE 86 11.989 -6.568 -9.671 633 HB ILE 86 HB ILE 86 14.927 -5.878 -9.712 634 1HG1 ILE 86 2HG1 ILE 86 14.573 -7.749 -8.200 635 2HG1 ILE 86 1HG1 ILE 86 14.850 -6.284 -7.266 636 1HG2 ILE 86 1HG2 ILE 86 12.457 -4.504 -8.780 637 2HG2 ILE 86 2HG2 ILE 86 13.875 -3.848 -9.598 638 3HG2 ILE 86 3HG2 ILE 86 13.955 -4.256 -7.883 639 1HD1 ILE 86 1HD1 ILE 86 13.027 -6.809 -6.127 640 2HD1 ILE 86 2HD1 ILE 86 12.583 -8.062 -7.284 641 3HD1 ILE 86 3HD1 ILE 86 12.102 -6.390 -7.569 Start of MODEL 19 1 H ARG 9 H ARG 9 -5.166 -12.702 -11.225 2 HA ARG 9 HA ARG 9 -4.211 -13.938 -8.758 3 1HB ARG 9 2HB ARG 9 -2.587 -12.801 -10.220 4 2HB ARG 9 1HB ARG 9 -3.477 -11.296 -10.036 5 1HG ARG 9 2HG ARG 9 -2.974 -11.264 -7.660 6 2HG ARG 9 1HG ARG 9 -2.123 -12.803 -7.808 7 1HD ARG 9 2HD ARG 9 -0.537 -11.747 -9.367 8 2HD ARG 9 1HD ARG 9 -1.376 -10.212 -9.163 9 HE ARG 9 HE ARG 9 -0.183 -9.908 -7.252 10 1HH1 ARG 9 1HH1 ARG 9 -0.297 -13.335 -7.913 11 2HH1 ARG 9 2HH1 ARG 9 0.673 -13.757 -6.541 12 1HH2 ARG 9 1HH2 ARG 9 1.100 -10.463 -5.455 13 2HH2 ARG 9 2HH2 ARG 9 1.467 -12.128 -5.148 14 H HIS 10 H HIS 10 -4.207 -12.610 -6.756 15 HA HIS 10 HA HIS 10 -6.747 -11.936 -5.928 16 1HB HIS 10 2HB HIS 10 -5.679 -10.841 -3.995 17 2HB HIS 10 1HB HIS 10 -4.931 -12.391 -4.363 18 HD1 HIS 10 1HD HIS 10 -4.279 -8.772 -5.381 19 HD2 HIS 10 2HD HIS 10 -2.250 -12.205 -4.213 20 HE1 HIS 10 1HE HIS 10 -1.848 -8.134 -5.340 21 HE2 HIS 10 2HE HIS 10 -0.650 -10.200 -4.536 22 H GLU 11 H GLU 11 -7.569 -9.808 -5.185 23 HA GLU 11 HA GLU 11 -6.863 -7.699 -7.120 24 1HB GLU 11 2HB GLU 11 -9.148 -8.729 -7.352 25 2HB GLU 11 1HB GLU 11 -9.533 -8.092 -5.759 26 1HG GLU 11 2HG GLU 11 -9.146 -5.818 -6.589 27 2HG GLU 11 1HG GLU 11 -8.796 -6.472 -8.186 28 H LEU 12 H LEU 12 -8.574 -7.915 -3.992 29 HA LEU 12 HA LEU 12 -8.489 -6.619 -2.118 30 1HB LEU 12 2HB LEU 12 -6.200 -7.679 -2.151 31 2HB LEU 12 1HB LEU 12 -5.599 -6.202 -2.876 32 HG LEU 12 HG LEU 12 -6.396 -4.969 -0.836 33 1HD1 LEU 12 1HD1 LEU 12 -7.199 -6.042 1.031 34 2HD1 LEU 12 2HD1 LEU 12 -6.514 -7.597 0.563 35 3HD1 LEU 12 3HD1 LEU 12 -7.949 -6.985 -0.255 36 1HD2 LEU 12 1HD2 LEU 12 -4.393 -7.161 -0.323 37 2HD2 LEU 12 2HD2 LEU 12 -4.509 -5.616 0.519 38 3HD2 LEU 12 3HD2 LEU 12 -4.050 -5.660 -1.183 39 H ILE 13 H ILE 13 -8.955 -5.338 -4.808 40 HA ILE 13 HA ILE 13 -7.947 -2.635 -4.406 41 HB ILE 13 HB ILE 13 -9.674 -3.738 -6.628 42 1HG1 ILE 13 2HG1 ILE 13 -7.457 -4.780 -6.575 43 2HG1 ILE 13 1HG1 ILE 13 -7.606 -3.702 -7.961 44 1HG2 ILE 13 1HG2 ILE 13 -10.043 -1.423 -6.589 45 2HG2 ILE 13 2HG2 ILE 13 -8.786 -1.651 -7.806 46 3HG2 ILE 13 3HG2 ILE 13 -8.359 -1.074 -6.194 47 1HD1 ILE 13 1HD1 ILE 13 -6.457 -1.957 -6.507 48 2HD1 ILE 13 2HD1 ILE 13 -5.477 -3.298 -7.102 49 3HD1 ILE 13 3HD1 ILE 13 -6.050 -3.297 -5.435 50 H GLY 14 H GLY 14 -9.426 -0.786 -4.534 51 1HA GLY 14 2HA GLY 14 -11.396 0.342 -4.076 52 2HA GLY 14 1HA GLY 14 -12.223 -1.203 -3.975 53 H LEU 15 H LEU 15 -9.403 -0.980 -2.071 54 HA LEU 15 HA LEU 15 -11.060 -0.646 0.340 55 1HB LEU 15 2HB LEU 15 -8.346 -1.938 0.110 56 2HB LEU 15 1HB LEU 15 -9.405 -1.950 1.508 57 HG LEU 15 HG LEU 15 -10.054 -3.275 -1.122 58 1HD1 LEU 15 1HD1 LEU 15 -8.071 -4.111 0.382 59 2HD1 LEU 15 2HD1 LEU 15 -9.214 -5.248 -0.335 60 3HD1 LEU 15 3HD1 LEU 15 -9.384 -4.776 1.356 61 1HD2 LEU 15 1HD2 LEU 15 -11.559 -4.484 0.767 62 2HD2 LEU 15 2HD2 LEU 15 -12.114 -3.132 -0.221 63 3HD2 LEU 15 3HD2 LEU 15 -11.498 -2.841 1.405 64 H SER 16 H SER 16 -10.200 0.540 2.118 65 HA SER 16 HA SER 16 -8.664 2.846 1.327 66 1HB SER 16 2HB SER 16 -9.629 1.988 4.076 67 2HB SER 16 1HB SER 16 -8.961 3.569 3.670 68 HG SER 16 HG SER 16 -10.729 3.843 2.228 69 H VAL 17 H VAL 17 -6.601 3.448 2.311 70 HA VAL 17 HA VAL 17 -5.152 1.282 3.617 71 HB VAL 17 HB VAL 17 -4.736 0.813 1.297 72 1HG1 VAL 17 1HG1 VAL 17 -3.472 2.581 -0.056 73 2HG1 VAL 17 2HG1 VAL 17 -4.080 3.734 1.131 74 3HG1 VAL 17 3HG1 VAL 17 -5.210 2.793 0.157 75 1HG2 VAL 17 1HG2 VAL 17 -2.347 2.159 2.554 76 2HG2 VAL 17 2HG2 VAL 17 -2.295 0.988 1.237 77 3HG2 VAL 17 3HG2 VAL 17 -2.870 0.497 2.831 78 H ARG 18 H ARG 18 -3.670 1.936 5.036 79 HA ARG 18 HA ARG 18 -2.710 4.702 4.934 80 1HB ARG 18 2HB ARG 18 -3.053 4.951 7.364 81 2HB ARG 18 1HB ARG 18 -4.570 4.744 6.500 82 1HG ARG 18 2HG ARG 18 -4.740 2.468 7.218 83 2HG ARG 18 1HG ARG 18 -3.123 2.522 7.925 84 1HD ARG 18 2HD ARG 18 -4.916 2.728 9.608 85 2HD ARG 18 1HD ARG 18 -3.849 4.132 9.568 86 HE ARG 18 HE ARG 18 -6.027 4.639 7.892 87 1HH1 ARG 18 1HH1 ARG 18 -5.358 4.186 11.287 88 2HH1 ARG 18 2HH1 ARG 18 -6.666 5.194 11.807 89 1HH2 ARG 18 1HH2 ARG 18 -7.746 5.968 8.574 90 2HH2 ARG 18 2HH2 ARG 18 -8.023 6.206 10.268 91 H ILE 19 H ILE 19 -0.638 4.999 5.655 92 HA ILE 19 HA ILE 19 0.853 2.538 6.243 93 HB ILE 19 HB ILE 19 1.954 5.210 5.371 94 1HG1 ILE 19 2HG1 ILE 19 1.244 2.751 3.759 95 2HG1 ILE 19 1HG1 ILE 19 0.533 4.356 3.613 96 1HG2 ILE 19 1HG2 ILE 19 3.340 3.329 6.604 97 2HG2 ILE 19 2HG2 ILE 19 4.020 4.246 5.262 98 3HG2 ILE 19 3HG2 ILE 19 3.375 2.629 4.988 99 1HD1 ILE 19 1HD1 ILE 19 3.352 3.552 2.908 100 2HD1 ILE 19 2HD1 ILE 19 2.755 5.211 2.892 101 3HD1 ILE 19 3HD1 ILE 19 2.063 4.015 1.794 102 H ALA 20 H ALA 20 2.100 2.317 8.051 103 HA ALA 20 HA ALA 20 1.707 4.325 10.140 104 1HB ALA 20 1HB ALA 20 1.416 1.644 10.253 105 2HB ALA 20 2HB ALA 20 1.768 2.657 11.653 106 3HB ALA 20 3HB ALA 20 3.076 1.814 10.825 107 H ARG 21 H ARG 21 4.178 2.788 8.255 108 HA ARG 21 HA ARG 21 6.068 4.820 8.988 109 1HB ARG 21 2HB ARG 21 6.676 1.911 9.536 110 2HB ARG 21 1HB ARG 21 7.843 3.222 9.626 111 1HG ARG 21 2HG ARG 21 6.528 4.252 11.423 112 2HG ARG 21 1HG ARG 21 5.398 2.899 11.351 113 1HD ARG 21 2HD ARG 21 6.998 2.588 13.164 114 2HD ARG 21 1HD ARG 21 7.210 1.354 11.921 115 HE ARG 21 HE ARG 21 9.336 2.108 11.651 116 1HH1 ARG 21 1HH1 ARG 21 7.449 4.699 13.033 117 2HH1 ARG 21 2HH1 ARG 21 8.787 5.794 13.121 118 1HH2 ARG 21 1HH2 ARG 21 11.099 3.544 11.774 119 2HH2 ARG 21 2HH2 ARG 21 10.859 5.138 12.410 120 H SER 22 H SER 22 7.327 5.337 7.295 121 HA SER 22 HA SER 22 7.693 3.374 5.150 122 1HB SER 22 2HB SER 22 7.173 5.151 3.466 123 2HB SER 22 1HB SER 22 5.782 4.665 4.437 124 HG SER 22 HG SER 22 7.348 7.009 4.662 125 H VAL 23 H VAL 23 9.331 4.079 3.544 126 HA VAL 23 HA VAL 23 11.765 4.658 4.714 127 HB VAL 23 HB VAL 23 11.574 3.614 2.514 128 1HG1 VAL 23 1HG1 VAL 23 10.874 6.342 1.441 129 2HG1 VAL 23 2HG1 VAL 23 9.701 5.054 1.710 130 3HG1 VAL 23 3HG1 VAL 23 10.998 4.835 0.534 131 1HG2 VAL 23 1HG2 VAL 23 13.689 4.673 3.146 132 2HG2 VAL 23 2HG2 VAL 23 13.148 6.189 2.428 133 3HG2 VAL 23 3HG2 VAL 23 13.416 4.776 1.406 134 H HIS 24 H HIS 24 9.596 6.882 2.975 135 HA HIS 24 HA HIS 24 11.291 9.126 3.785 136 1HB HIS 24 2HB HIS 24 8.936 9.036 1.888 137 2HB HIS 24 1HB HIS 24 9.914 10.459 2.226 138 HD1 HIS 24 1HD HIS 24 12.672 9.795 1.792 139 HD2 HIS 24 2HD HIS 24 9.710 7.902 -0.423 140 HE1 HIS 24 1HE HIS 24 13.827 8.916 -0.261 141 HE2 HIS 24 2HE HIS 24 12.031 7.700 -1.546 142 H ARG 25 H ARG 25 10.689 10.624 5.236 143 HA ARG 25 HA ARG 25 8.585 10.046 7.040 144 1HB ARG 25 2HB ARG 25 10.622 11.167 7.765 145 2HB ARG 25 1HB ARG 25 10.267 12.534 6.716 146 1HG ARG 25 2HG ARG 25 8.272 13.032 8.037 147 2HG ARG 25 1HG ARG 25 8.630 11.664 9.089 148 1HD ARG 25 2HD ARG 25 10.760 12.712 9.713 149 2HD ARG 25 1HD ARG 25 10.384 14.084 8.672 150 HE ARG 25 HE ARG 25 9.131 14.923 10.371 151 1HH1 ARG 25 1HH1 ARG 25 9.375 11.470 10.828 152 2HH1 ARG 25 2HH1 ARG 25 8.462 11.475 12.298 153 1HH2 ARG 25 1HH2 ARG 25 7.938 14.931 12.308 154 2HH2 ARG 25 2HH2 ARG 25 7.648 13.439 13.139 155 H ASP 26 H ASP 26 8.686 11.821 4.112 156 HA ASP 26 HA ASP 26 6.451 13.512 4.711 157 1HB ASP 26 2HB ASP 26 6.617 14.202 2.358 158 2HB ASP 26 1HB ASP 26 8.177 14.281 3.171 159 H ILE 27 H ILE 27 6.568 10.282 4.191 160 HA ILE 27 HA ILE 27 3.880 10.286 3.066 161 HB ILE 27 HB ILE 27 4.378 8.267 1.756 162 1HG1 ILE 27 2HG1 ILE 27 7.208 8.797 2.681 163 2HG1 ILE 27 1HG1 ILE 27 6.232 7.375 3.017 164 1HG2 ILE 27 1HG2 ILE 27 5.872 9.414 0.054 165 2HG2 ILE 27 2HG2 ILE 27 5.974 10.753 1.198 166 3HG2 ILE 27 3HG2 ILE 27 4.411 10.279 0.533 167 1HD1 ILE 27 1HD1 ILE 27 6.416 6.590 0.820 168 2HD1 ILE 27 2HD1 ILE 27 8.031 7.156 1.243 169 3HD1 ILE 27 3HD1 ILE 27 6.989 8.147 0.221 170 H GLN 28 H GLN 28 5.708 9.477 5.670 171 HA GLN 28 HA GLN 28 4.489 6.918 6.206 172 1HB GLN 28 2HB GLN 28 5.803 6.904 8.245 173 2HB GLN 28 1HB GLN 28 6.822 7.330 6.878 174 1HG GLN 28 2HG GLN 28 6.712 9.673 7.500 175 2HG GLN 28 1HG GLN 28 5.640 9.280 8.841 176 1HE2 GLN 28 1HE2 GLN 28 7.762 6.772 8.653 177 2HE2 GLN 28 2HE2 GLN 28 8.957 7.326 9.768 178 H GLY 29 H GLY 29 3.146 6.482 8.025 179 1HA GLY 29 2HA GLY 29 1.390 6.889 9.445 180 2HA GLY 29 1HA GLY 29 2.150 8.435 9.779 181 H ILE 30 H ILE 30 1.359 7.837 6.492 182 HA ILE 30 HA ILE 30 -0.821 9.755 6.705 183 HB ILE 30 HB ILE 30 0.743 8.936 4.261 184 1HG1 ILE 30 2HG1 ILE 30 2.122 10.179 5.851 185 2HG1 ILE 30 1HG1 ILE 30 1.769 11.169 4.439 186 1HG2 ILE 30 1HG2 ILE 30 -0.342 11.164 3.448 187 2HG2 ILE 30 2HG2 ILE 30 -1.535 10.814 4.699 188 3HG2 ILE 30 3HG2 ILE 30 -1.263 9.662 3.391 189 1HD1 ILE 30 1HD1 ILE 30 0.032 12.343 5.697 190 2HD1 ILE 30 2HD1 ILE 30 1.603 12.469 6.489 191 3HD1 ILE 30 3HD1 ILE 30 0.387 11.352 7.111 192 H SER 31 H SER 31 -2.837 9.035 6.563 193 HA SER 31 HA SER 31 -3.347 6.386 5.449 194 1HB SER 31 2HB SER 31 -5.178 8.281 6.944 195 2HB SER 31 1HB SER 31 -5.597 6.643 6.440 196 HG SER 31 HG SER 31 -4.909 6.651 8.592 197 H GLY 32 H GLY 32 -4.918 6.017 3.796 198 1HA GLY 32 2HA GLY 32 -6.263 8.179 2.517 199 2HA GLY 32 1HA GLY 32 -4.815 7.735 1.633 200 H ARG 33 H ARG 33 -6.308 7.299 -0.081 201 HA ARG 33 HA ARG 33 -7.776 4.792 0.205 202 1HB ARG 33 2HB ARG 33 -8.220 7.176 -1.462 203 2HB ARG 33 1HB ARG 33 -8.642 5.618 -2.146 204 1HG ARG 33 2HG ARG 33 -9.571 6.427 0.554 205 2HG ARG 33 1HG ARG 33 -10.460 6.835 -0.908 206 1HD ARG 33 2HD ARG 33 -9.704 4.056 -0.035 207 2HD ARG 33 1HD ARG 33 -11.299 4.785 0.156 208 HE ARG 33 HE ARG 33 -10.499 4.896 -2.551 209 1HH1 ARG 33 1HH1 ARG 33 -11.618 2.645 -0.129 210 2HH1 ARG 33 2HH1 ARG 33 -12.325 1.565 -1.282 211 1HH2 ARG 33 1HH2 ARG 33 -11.428 3.476 -4.067 212 2HH2 ARG 33 2HH2 ARG 33 -12.217 2.036 -3.518 213 H VAL 34 H VAL 34 -7.992 3.610 -1.944 214 HA VAL 34 HA VAL 34 -5.221 2.945 -2.718 215 HB VAL 34 HB VAL 34 -6.594 1.172 -1.669 216 1HG1 VAL 34 1HG1 VAL 34 -8.777 1.600 -2.453 217 2HG1 VAL 34 2HG1 VAL 34 -8.295 0.067 -3.178 218 3HG1 VAL 34 3HG1 VAL 34 -8.266 1.542 -4.140 219 1HG2 VAL 34 1HG2 VAL 34 -5.931 0.458 -4.517 220 2HG2 VAL 34 2HG2 VAL 34 -5.846 -0.568 -3.085 221 3HG2 VAL 34 3HG2 VAL 34 -4.697 0.755 -3.291 222 H VAL 35 H VAL 35 -4.627 2.351 -4.873 223 HA VAL 35 HA VAL 35 -6.537 3.009 -6.986 224 HB VAL 35 HB VAL 35 -3.865 3.663 -7.860 225 1HG1 VAL 35 1HG1 VAL 35 -6.600 4.672 -8.193 226 2HG1 VAL 35 2HG1 VAL 35 -5.365 4.292 -9.390 227 3HG1 VAL 35 3HG1 VAL 35 -5.286 5.808 -8.495 228 1HG2 VAL 35 1HG2 VAL 35 -4.382 4.683 -5.354 229 2HG2 VAL 35 2HG2 VAL 35 -4.731 6.011 -6.450 230 3HG2 VAL 35 3HG2 VAL 35 -3.160 5.236 -6.490 231 H ASP 36 H ASP 36 -3.293 1.816 -6.253 232 HA ASP 36 HA ASP 36 -3.803 -0.678 -7.570 233 1HB ASP 36 2HB ASP 36 -3.279 0.757 -9.501 234 2HB ASP 36 1HB ASP 36 -1.746 1.194 -8.755 235 H GLU 37 H GLU 37 -1.817 -2.106 -7.540 236 HA GLU 37 HA GLU 37 -0.024 -1.408 -5.309 237 1HB GLU 37 2HB GLU 37 -1.252 -4.117 -5.872 238 2HB GLU 37 1HB GLU 37 -0.060 -3.782 -4.624 239 1HG GLU 37 2HG GLU 37 -1.640 -2.280 -3.519 240 2HG GLU 37 1HG GLU 37 -2.834 -2.621 -4.771 241 H THR 38 H THR 38 2.088 -1.482 -5.878 242 HA THR 38 HA THR 38 2.787 -3.044 -8.276 243 HB THR 38 HB THR 38 4.038 -0.500 -7.243 244 HG1 THR 38 1HG THR 38 1.955 -0.390 -8.356 245 1HG2 THR 38 1HG2 THR 38 4.775 -2.268 -9.539 246 2HG2 THR 38 2HG2 THR 38 5.813 -1.565 -8.298 247 3HG2 THR 38 3HG2 THR 38 5.123 -0.539 -9.557 248 H ARG 39 H ARG 39 4.906 -3.943 -8.386 249 HA ARG 39 HA ARG 39 5.652 -5.646 -6.440 250 1HB ARG 39 2HB ARG 39 7.884 -5.719 -7.461 251 2HB ARG 39 1HB ARG 39 6.614 -5.673 -8.677 252 1HG ARG 39 2HG ARG 39 7.004 -3.253 -8.953 253 2HG ARG 39 1HG ARG 39 8.329 -3.360 -7.794 254 1HD ARG 39 2HD ARG 39 9.475 -4.953 -9.271 255 2HD ARG 39 1HD ARG 39 8.160 -4.807 -10.436 256 HE ARG 39 HE ARG 39 9.156 -2.247 -9.888 257 1HH1 ARG 39 1HH1 ARG 39 10.152 -5.202 -11.454 258 2HH1 ARG 39 2HH1 ARG 39 11.219 -4.405 -12.558 259 1HH2 ARG 39 1HH2 ARG 39 10.554 -1.197 -11.342 260 2HH2 ARG 39 2HH2 ARG 39 11.448 -2.130 -12.497 261 H ASN 40 H ASN 40 6.961 -2.352 -6.777 262 HA ASN 40 HA ASN 40 7.701 -2.479 -3.943 263 1HB ASN 40 2HB ASN 40 9.828 -1.342 -4.394 264 2HB ASN 40 1HB ASN 40 9.747 -2.911 -5.177 265 1HD2 ASN 40 1HD2 ASN 40 7.805 -0.818 -6.928 266 2HD2 ASN 40 2HD2 ASN 40 8.958 -0.337 -8.112 267 H THR 41 H THR 41 5.465 -1.209 -5.381 268 HA THR 41 HA THR 41 5.728 1.378 -4.139 269 HB THR 41 HB THR 41 4.932 2.530 -6.297 270 HG1 THR 41 1HG THR 41 5.744 1.509 -8.186 271 1HG2 THR 41 1HG2 THR 41 7.141 3.020 -7.035 272 2HG2 THR 41 2HG2 THR 41 7.772 1.555 -6.280 273 3HG2 THR 41 3HG2 THR 41 7.157 2.872 -5.278 274 H LEU 42 H LEU 42 3.757 2.512 -3.942 275 HA LEU 42 HA LEU 42 1.396 0.812 -4.401 276 1HB LEU 42 2HB LEU 42 2.074 2.578 -2.066 277 2HB LEU 42 1HB LEU 42 0.437 2.039 -2.385 278 HG LEU 42 HG LEU 42 2.810 0.270 -1.790 279 1HD1 LEU 42 1HD1 LEU 42 0.724 1.516 -0.152 280 2HD1 LEU 42 2HD1 LEU 42 2.280 0.833 0.321 281 3HD1 LEU 42 3HD1 LEU 42 0.885 -0.223 0.088 282 1HD2 LEU 42 1HD2 LEU 42 -0.065 -0.395 -2.423 283 2HD2 LEU 42 2HD2 LEU 42 1.083 -1.536 -1.724 284 3HD2 LEU 42 3HD2 LEU 42 1.368 -0.873 -3.334 285 H ARG 43 H ARG 43 -0.639 1.971 -4.498 286 HA ARG 43 HA ARG 43 -0.417 4.712 -5.498 287 1HB ARG 43 2HB ARG 43 -1.141 2.346 -7.015 288 2HB ARG 43 1HB ARG 43 -2.425 3.537 -7.030 289 1HG ARG 43 2HG ARG 43 -0.885 5.225 -7.859 290 2HG ARG 43 1HG ARG 43 0.433 4.053 -7.806 291 1HD ARG 43 2HD ARG 43 -0.721 2.672 -9.457 292 2HD ARG 43 1HD ARG 43 -2.064 3.813 -9.488 293 HE ARG 43 HE ARG 43 -0.861 5.063 -10.958 294 1HH1 ARG 43 1HH1 ARG 43 1.376 3.080 -9.152 295 2HH1 ARG 43 2HH1 ARG 43 2.766 3.649 -10.012 296 1HH2 ARG 43 1HH2 ARG 43 0.967 5.806 -12.091 297 2HH2 ARG 43 2HH2 ARG 43 2.536 5.193 -11.681 298 H ILE 44 H ILE 44 -1.683 5.955 -4.329 299 HA ILE 44 HA ILE 44 -3.980 4.785 -2.932 300 HB ILE 44 HB ILE 44 -2.347 7.267 -2.375 301 1HG1 ILE 44 2HG1 ILE 44 -2.673 4.685 -0.839 302 2HG1 ILE 44 1HG1 ILE 44 -1.263 5.158 -1.779 303 1HG2 ILE 44 1HG2 ILE 44 -4.993 7.073 -1.741 304 2HG2 ILE 44 2HG2 ILE 44 -3.806 8.061 -0.891 305 3HG2 ILE 44 3HG2 ILE 44 -4.214 6.458 -0.284 306 1HD1 ILE 44 1HD1 ILE 44 -0.928 7.062 -0.251 307 2HD1 ILE 44 2HD1 ILE 44 -0.841 5.499 0.561 308 3HD1 ILE 44 3HD1 ILE 44 -2.290 6.491 0.713 309 H GLU 45 H GLU 45 -5.837 5.055 -4.045 310 HA GLU 45 HA GLU 45 -6.462 7.777 -4.923 311 1HB GLU 45 2HB GLU 45 -6.143 6.553 -6.949 312 2HB GLU 45 1HB GLU 45 -7.118 5.210 -6.369 313 1HG GLU 45 2HG GLU 45 -9.091 6.677 -6.392 314 2HG GLU 45 1HG GLU 45 -8.091 7.983 -7.028 315 H MET 46 H MET 46 -8.383 8.546 -4.434 316 HA MET 46 HA MET 46 -10.207 6.849 -2.863 317 1HB MET 46 2HB MET 46 -10.879 8.947 -1.698 318 2HB MET 46 1HB MET 46 -9.205 8.507 -1.425 319 1HG MET 46 2HG MET 46 -8.878 10.126 -3.519 320 2HG MET 46 1HG MET 46 -10.353 10.817 -2.846 321 1HE MET 46 1HE MET 46 -6.521 10.127 -2.302 322 2HE MET 46 2HE MET 46 -7.297 9.055 -1.130 323 3HE MET 46 3HE MET 46 -6.357 10.439 -0.572 324 H ASP 47 H ASP 47 -12.360 6.943 -3.264 325 HA ASP 47 HA ASP 47 -13.354 7.202 -5.750 326 1HB ASP 47 2HB ASP 47 -14.572 6.220 -3.844 327 2HB ASP 47 1HB ASP 47 -14.892 7.839 -3.231 328 H ASP 48 H ASP 48 -12.783 9.836 -3.564 329 HA ASP 48 HA ASP 48 -14.396 11.794 -4.749 330 1HB ASP 48 2HB ASP 48 -11.700 12.141 -3.418 331 2HB ASP 48 1HB ASP 48 -12.855 13.430 -3.739 332 H GLY 49 H GLY 49 -11.708 10.146 -5.989 333 1HA GLY 49 2HA GLY 49 -11.069 10.284 -8.259 334 2HA GLY 49 1HA GLY 49 -11.624 11.951 -8.289 335 H ARG 50 H ARG 50 -9.789 11.006 -5.568 336 HA ARG 50 HA ARG 50 -7.493 12.531 -6.622 337 1HB ARG 50 2HB ARG 50 -8.285 11.983 -3.768 338 2HB ARG 50 1HB ARG 50 -6.860 12.877 -4.257 339 1HG ARG 50 2HG ARG 50 -9.682 13.695 -4.909 340 2HG ARG 50 1HG ARG 50 -8.761 14.294 -3.530 341 1HD ARG 50 2HD ARG 50 -8.538 15.928 -5.218 342 2HD ARG 50 1HD ARG 50 -7.012 15.049 -5.191 343 HE ARG 50 HE ARG 50 -8.729 13.888 -7.092 344 1HH1 ARG 50 1HH1 ARG 50 -6.838 16.774 -6.576 345 2HH1 ARG 50 2HH1 ARG 50 -6.608 17.077 -8.266 346 1HH2 ARG 50 1HH2 ARG 50 -8.427 14.283 -9.316 347 2HH2 ARG 50 2HH2 ARG 50 -7.512 15.664 -9.820 348 H GLU 51 H GLU 51 -5.733 11.448 -7.167 349 HA GLU 51 HA GLU 51 -5.228 8.875 -5.836 350 1HB GLU 51 2HB GLU 51 -4.324 7.999 -7.873 351 2HB GLU 51 1HB GLU 51 -5.897 8.690 -8.233 352 1HG GLU 51 2HG GLU 51 -3.278 10.081 -8.734 353 2HG GLU 51 1HG GLU 51 -4.171 9.159 -9.942 354 H ILE 52 H ILE 52 -3.082 8.348 -5.328 355 HA ILE 52 HA ILE 52 -0.916 10.148 -5.939 356 HB ILE 52 HB ILE 52 -1.978 11.341 -4.081 357 1HG1 ILE 52 2HG1 ILE 52 0.642 10.021 -3.325 358 2HG1 ILE 52 1HG1 ILE 52 0.461 11.453 -4.337 359 1HG2 ILE 52 1HG2 ILE 52 -1.329 9.003 -2.312 360 2HG2 ILE 52 2HG2 ILE 52 -2.912 9.209 -3.063 361 3HG2 ILE 52 3HG2 ILE 52 -2.303 10.427 -1.942 362 1HD1 ILE 52 1HD1 ILE 52 -0.300 11.247 -1.424 363 2HD1 ILE 52 2HD1 ILE 52 -0.478 12.681 -2.436 364 3HD1 ILE 52 3HD1 ILE 52 1.132 12.054 -2.068 365 H THR 53 H THR 53 0.825 8.910 -6.227 366 HA THR 53 HA THR 53 0.871 6.176 -5.369 367 HB THR 53 HB THR 53 1.804 6.794 -7.524 368 HG1 THR 53 1HG THR 53 2.769 5.021 -6.556 369 1HG2 THR 53 1HG2 THR 53 4.280 7.872 -7.062 370 2HG2 THR 53 2HG2 THR 53 3.236 8.794 -5.980 371 3HG2 THR 53 3HG2 THR 53 2.879 8.729 -7.706 372 H VAL 54 H VAL 54 2.510 5.166 -4.080 373 HA VAL 54 HA VAL 54 4.152 6.854 -2.381 374 HB VAL 54 HB VAL 54 2.110 5.000 -1.150 375 1HG1 VAL 54 1HG1 VAL 54 2.884 6.265 0.945 376 2HG1 VAL 54 2HG1 VAL 54 4.283 6.735 -0.019 377 3HG1 VAL 54 3HG1 VAL 54 3.958 5.029 0.286 378 1HG2 VAL 54 1HG2 VAL 54 1.074 7.073 -0.282 379 2HG2 VAL 54 2HG2 VAL 54 0.999 6.956 -2.040 380 3HG2 VAL 54 3HG2 VAL 54 2.185 8.015 -1.277 381 HA PRO 55 HA PRO 55 6.770 3.282 -3.201 382 1HB PRO 55 2HB PRO 55 8.482 4.561 -1.153 383 2HB PRO 55 1HB PRO 55 8.867 4.098 -2.813 384 1HG PRO 55 2HG PRO 55 8.547 6.658 -2.148 385 2HG PRO 55 1HG PRO 55 7.963 6.036 -3.704 386 1HD PRO 55 2HD PRO 55 6.426 6.645 -1.206 387 2HD PRO 55 1HD PRO 55 5.997 6.963 -2.900 388 H LYS 56 H LYS 56 6.239 1.372 -2.336 389 HA LYS 56 HA LYS 56 5.981 1.120 0.573 390 1HB LYS 56 2HB LYS 56 4.887 -1.039 0.087 391 2HB LYS 56 1HB LYS 56 4.062 0.329 -0.638 392 1HG LYS 56 2HG LYS 56 4.882 -0.206 -2.797 393 2HG LYS 56 1HG LYS 56 6.012 -1.392 -2.144 394 1HD LYS 56 2HD LYS 56 3.073 -1.717 -1.704 395 2HD LYS 56 1HD LYS 56 3.791 -2.190 -3.243 396 1HE LYS 56 2HE LYS 56 3.681 -4.109 -1.791 397 2HE LYS 56 1HE LYS 56 5.365 -3.647 -2.016 398 1HZ LYS 56 1HZ LYS 56 5.520 -2.858 0.133 399 2HZ LYS 56 2HZ LYS 56 4.531 -4.215 0.328 400 3HZ LYS 56 3HZ LYS 56 3.849 -2.668 0.315 401 H GLY 57 H GLY 57 8.341 0.659 -1.712 402 1HA GLY 57 2HA GLY 57 9.388 -1.856 -1.345 403 2HA GLY 57 1HA GLY 57 10.375 -0.423 -1.589 404 H ILE 58 H ILE 58 9.273 0.721 0.959 405 HA ILE 58 HA ILE 58 10.287 -1.027 3.004 406 HB ILE 58 HB ILE 58 11.548 1.692 2.635 407 1HG1 ILE 58 2HG1 ILE 58 13.662 0.242 2.256 408 2HG1 ILE 58 1HG1 ILE 58 12.531 -1.056 1.887 409 1HG2 ILE 58 1HG2 ILE 58 11.369 0.965 4.955 410 2HG2 ILE 58 2HG2 ILE 58 13.050 0.997 4.428 411 3HG2 ILE 58 3HG2 ILE 58 12.194 -0.541 4.555 412 1HD1 ILE 58 1HD1 ILE 58 11.682 1.141 0.384 413 2HD1 ILE 58 2HD1 ILE 58 12.481 -0.321 -0.194 414 3HD1 ILE 58 3HD1 ILE 58 13.437 1.097 0.234 415 H ALA 59 H ALA 59 7.781 -0.546 2.997 416 HA ALA 59 HA ALA 59 7.382 1.429 5.090 417 1HB ALA 59 1HB ALA 59 7.072 2.653 2.974 418 2HB ALA 59 2HB ALA 59 5.615 2.614 3.966 419 3HB ALA 59 3HB ALA 59 5.754 1.553 2.563 420 H VAL 60 H VAL 60 6.200 0.563 6.659 421 HA VAL 60 HA VAL 60 4.557 -1.771 6.174 422 HB VAL 60 HB VAL 60 5.850 -1.617 8.260 423 1HG1 VAL 60 1HG1 VAL 60 4.052 0.341 9.509 424 2HG1 VAL 60 2HG1 VAL 60 5.155 1.004 8.303 425 3HG1 VAL 60 3HG1 VAL 60 5.793 0.118 9.688 426 1HG2 VAL 60 1HG2 VAL 60 3.964 -2.104 9.845 427 2HG2 VAL 60 2HG2 VAL 60 3.925 -3.020 8.339 428 3HG2 VAL 60 3HG2 VAL 60 2.851 -1.638 8.559 429 H PHE 61 H PHE 61 2.313 -1.848 6.180 430 HA PHE 61 HA PHE 61 0.801 0.511 6.885 431 1HB PHE 61 2HB PHE 61 -0.288 0.652 4.626 432 2HB PHE 61 1HB PHE 61 1.390 1.179 4.684 433 HD1 PHE 61 1HD PHE 61 -0.484 -2.010 4.119 434 HD2 PHE 61 2HD PHE 61 2.694 0.557 2.929 435 HE1 PHE 61 1HE PHE 61 0.076 -3.557 2.291 436 HE2 PHE 61 2HE PHE 61 3.258 -0.983 1.100 437 HZ PHE 61 HZ PHE 61 1.949 -3.044 0.777 438 H HIS 62 H HIS 62 -1.577 0.185 6.473 439 HA HIS 62 HA HIS 62 -2.346 -2.645 6.552 440 1HB HIS 62 2HB HIS 62 -3.443 -0.612 8.494 441 2HB HIS 62 1HB HIS 62 -3.679 -2.355 8.514 442 HD1 HIS 62 1HD HIS 62 -1.076 -3.601 8.647 443 HD2 HIS 62 2HD HIS 62 -1.720 0.095 10.429 444 HE1 HIS 62 1HE HIS 62 0.739 -3.360 10.367 445 HE2 HIS 62 2HE HIS 62 0.279 -1.155 11.493 446 H PHE 63 H PHE 63 -4.072 -3.062 5.297 447 HA PHE 63 HA PHE 63 -5.506 -0.804 4.119 448 1HB PHE 63 2HB PHE 63 -5.276 -3.716 3.388 449 2HB PHE 63 1HB PHE 63 -6.508 -2.688 2.670 450 HD1 PHE 63 1HD PHE 63 -5.945 -2.328 0.486 451 HD2 PHE 63 2HD PHE 63 -2.912 -2.052 3.460 452 HE1 PHE 63 1HE PHE 63 -4.343 -1.585 -1.226 453 HE2 PHE 63 2HE PHE 63 -1.307 -1.304 1.749 454 HZ PHE 63 HZ PHE 63 -2.020 -1.072 -0.593 455 H ARG 64 H ARG 64 -7.608 -0.356 4.498 456 HA ARG 64 HA ARG 64 -9.052 -2.144 6.341 457 1HB ARG 64 2HB ARG 64 -9.358 0.826 5.873 458 2HB ARG 64 1HB ARG 64 -10.431 -0.128 6.887 459 1HG ARG 64 2HG ARG 64 -8.882 0.992 8.296 460 2HG ARG 64 1HG ARG 64 -8.466 -0.720 8.293 461 1HD ARG 64 2HD ARG 64 -6.510 0.823 8.123 462 2HD ARG 64 1HD ARG 64 -6.628 -0.352 6.819 463 HE ARG 64 HE ARG 64 -6.739 1.402 5.377 464 1HH1 ARG 64 1HH1 ARG 64 -7.873 2.509 8.487 465 2HH1 ARG 64 2HH1 ARG 64 -8.167 4.126 7.943 466 1HH2 ARG 64 1HH2 ARG 64 -7.115 3.529 4.665 467 2HH2 ARG 64 2HH2 ARG 64 -7.734 4.707 5.776 468 H THR 65 H THR 65 -11.189 -2.708 5.915 469 HA THR 65 HA THR 65 -12.089 -2.146 3.166 470 HB THR 65 HB THR 65 -12.768 -4.539 4.880 471 HG1 THR 65 1HG THR 65 -10.844 -4.158 2.851 472 1HG2 THR 65 1HG2 THR 65 -13.283 -5.438 2.486 473 2HG2 THR 65 2HG2 THR 65 -13.531 -3.729 2.127 474 3HG2 THR 65 3HG2 THR 65 -14.489 -4.514 3.382 475 HA PRO 66 HA PRO 66 -15.451 0.235 4.844 476 1HB PRO 66 2HB PRO 66 -16.879 -0.994 2.523 477 2HB PRO 66 1HB PRO 66 -16.818 0.697 3.039 478 1HG PRO 66 2HG PRO 66 -15.364 -0.128 0.974 479 2HG PRO 66 1HG PRO 66 -14.701 1.031 2.142 480 1HD PRO 66 2HD PRO 66 -14.116 -1.871 1.809 481 2HD PRO 66 1HD PRO 66 -13.044 -0.554 2.322 482 H GLN 67 H GLN 67 -15.842 -3.156 3.927 483 HA GLN 67 HA GLN 67 -18.330 -3.535 5.233 484 1HB GLN 67 2HB GLN 67 -17.660 -5.053 3.503 485 2HB GLN 67 1HB GLN 67 -16.176 -5.456 4.355 486 1HG GLN 67 2HG GLN 67 -17.501 -6.500 6.136 487 2HG GLN 67 1HG GLN 67 -18.973 -6.136 5.232 488 1HE2 GLN 67 1HE2 GLN 67 -16.334 -8.231 5.621 489 2HE2 GLN 67 2HE2 GLN 67 -16.713 -9.335 4.347 490 H GLY 68 H GLY 68 -15.203 -3.069 6.435 491 1HA GLY 68 2HA GLY 68 -14.876 -2.758 8.785 492 2HA GLY 68 1HA GLY 68 -16.085 -3.998 9.080 493 H GLU 69 H GLU 69 -13.204 -3.997 6.983 494 HA GLU 69 HA GLU 69 -12.207 -6.282 8.569 495 1HB GLU 69 2HB GLU 69 -11.837 -5.863 5.598 496 2HB GLU 69 1HB GLU 69 -11.246 -7.223 6.537 497 1HG GLU 69 2HG GLU 69 -13.544 -7.884 7.032 498 2HG GLU 69 1HG GLU 69 -14.137 -6.526 6.077 499 H LEU 70 H LEU 70 -9.939 -6.478 8.802 500 HA LEU 70 HA LEU 70 -8.423 -4.043 8.147 501 1HB LEU 70 2HB LEU 70 -9.083 -4.117 10.540 502 2HB LEU 70 1HB LEU 70 -8.219 -5.631 10.707 503 HG LEU 70 HG LEU 70 -6.971 -3.680 11.587 504 1HD1 LEU 70 1HD1 LEU 70 -5.446 -4.660 9.214 505 2HD1 LEU 70 2HD1 LEU 70 -5.939 -5.798 10.469 506 3HD1 LEU 70 3HD1 LEU 70 -4.909 -4.426 10.879 507 1HD2 LEU 70 1HD2 LEU 70 -7.792 -2.033 9.949 508 2HD2 LEU 70 2HD2 LEU 70 -6.835 -2.826 8.697 509 3HD2 LEU 70 3HD2 LEU 70 -6.031 -2.048 10.060 510 H VAL 71 H VAL 71 -6.720 -4.452 6.929 511 HA VAL 71 HA VAL 71 -5.489 -7.128 7.047 512 HB VAL 71 HB VAL 71 -5.514 -5.222 4.698 513 1HG1 VAL 71 1HG1 VAL 71 -4.593 -8.089 4.839 514 2HG1 VAL 71 2HG1 VAL 71 -3.523 -6.686 4.859 515 3HG1 VAL 71 3HG1 VAL 71 -4.517 -7.016 3.441 516 1HG2 VAL 71 1HG2 VAL 71 -7.642 -5.967 4.536 517 2HG2 VAL 71 2HG2 VAL 71 -7.333 -7.395 5.523 518 3HG2 VAL 71 3HG2 VAL 71 -6.858 -7.376 3.825 519 H GLU 72 H GLU 72 -3.211 -7.256 7.005 520 HA GLU 72 HA GLU 72 -1.798 -4.702 7.350 521 1HB GLU 72 2HB GLU 72 -1.401 -7.161 9.061 522 2HB GLU 72 1HB GLU 72 -0.486 -5.665 9.183 523 1HG GLU 72 2HG GLU 72 -2.514 -4.469 9.818 524 2HG GLU 72 1HG GLU 72 -3.439 -5.964 9.685 525 H ILE 73 H ILE 73 0.246 -4.577 6.548 526 HA ILE 73 HA ILE 73 1.573 -6.959 5.542 527 HB ILE 73 HB ILE 73 0.876 -4.664 3.708 528 1HG1 ILE 73 2HG1 ILE 73 -0.041 -7.548 3.704 529 2HG1 ILE 73 1HG1 ILE 73 -1.031 -6.150 4.115 530 1HG2 ILE 73 1HG2 ILE 73 1.952 -6.047 1.964 531 2HG2 ILE 73 2HG2 ILE 73 2.472 -7.173 3.217 532 3HG2 ILE 73 3HG2 ILE 73 3.077 -5.517 3.215 533 1HD1 ILE 73 1HD1 ILE 73 -0.807 -5.314 1.834 534 2HD1 ILE 73 2HD1 ILE 73 -1.493 -6.940 1.859 535 3HD1 ILE 73 3HD1 ILE 73 0.199 -6.703 1.421 536 H ASP 74 H ASP 74 3.815 -6.619 5.131 537 HA ASP 74 HA ASP 74 4.827 -4.158 6.384 538 1HB ASP 74 2HB ASP 74 6.895 -5.505 6.825 539 2HB ASP 74 1HB ASP 74 5.453 -6.103 7.641 540 H GLY 75 H GLY 75 5.156 -2.766 4.748 541 1HA GLY 75 2HA GLY 75 6.126 -3.436 2.182 542 2HA GLY 75 1HA GLY 75 6.078 -1.825 2.870 543 H ARG 76 H ARG 76 7.760 -3.248 5.153 544 HA ARG 76 HA ARG 76 10.274 -2.512 3.943 545 1HB ARG 76 2HB ARG 76 9.570 -3.114 6.806 546 2HB ARG 76 1HB ARG 76 11.163 -2.614 6.255 547 1HG ARG 76 2HG ARG 76 10.159 -0.505 5.425 548 2HG ARG 76 1HG ARG 76 8.622 -1.004 6.134 549 1HD ARG 76 2HD ARG 76 9.593 -1.022 8.340 550 2HD ARG 76 1HD ARG 76 11.194 -0.687 7.680 551 HE ARG 76 HE ARG 76 9.435 1.357 6.899 552 1HH1 ARG 76 1HH1 ARG 76 10.996 0.122 9.766 553 2HH1 ARG 76 2HH1 ARG 76 11.045 1.664 10.554 554 1HH2 ARG 76 1HH2 ARG 76 9.504 3.386 7.933 555 2HH2 ARG 76 2HH2 ARG 76 10.199 3.516 9.515 556 H ALA 77 H ALA 77 8.834 -5.257 5.576 557 HA ALA 77 HA ALA 77 11.168 -6.863 4.931 558 1HB ALA 77 1HB ALA 77 10.806 -7.344 7.104 559 2HB ALA 77 2HB ALA 77 9.718 -8.544 6.407 560 3HB ALA 77 3HB ALA 77 9.077 -7.011 7.001 561 H LEU 78 H LEU 78 8.155 -6.219 3.613 562 HA LEU 78 HA LEU 78 8.123 -8.856 2.295 563 1HB LEU 78 2HB LEU 78 6.164 -8.377 3.791 564 2HB LEU 78 1HB LEU 78 5.740 -7.058 2.716 565 HG LEU 78 HG LEU 78 5.419 -8.645 0.872 566 1HD1 LEU 78 1HD1 LEU 78 6.013 -10.758 2.939 567 2HD1 LEU 78 2HD1 LEU 78 7.028 -10.341 1.558 568 3HD1 LEU 78 3HD1 LEU 78 5.434 -11.048 1.298 569 1HD2 LEU 78 1HD2 LEU 78 3.892 -8.846 3.407 570 2HD2 LEU 78 2HD2 LEU 78 3.539 -10.020 2.142 571 3HD2 LEU 78 3HD2 LEU 78 3.379 -8.296 1.811 572 H VAL 79 H VAL 79 9.717 -6.758 1.348 573 HA VAL 79 HA VAL 79 8.527 -5.145 -0.606 574 HB VAL 79 HB VAL 79 10.823 -4.786 0.151 575 1HG1 VAL 79 1HG1 VAL 79 12.585 -6.233 -0.188 576 2HG1 VAL 79 2HG1 VAL 79 11.789 -7.056 -1.531 577 3HG1 VAL 79 3HG1 VAL 79 11.260 -7.355 0.125 578 1HG2 VAL 79 1HG2 VAL 79 9.903 -4.277 -2.285 579 2HG2 VAL 79 2HG2 VAL 79 11.205 -5.377 -2.732 580 3HG2 VAL 79 3HG2 VAL 79 11.565 -3.913 -1.818 581 H ALA 80 H ALA 80 7.119 -6.070 -1.999 582 HA ALA 80 HA ALA 80 7.293 -8.620 -3.114 583 1HB ALA 80 1HB ALA 80 5.194 -7.829 -3.403 584 2HB ALA 80 2HB ALA 80 5.836 -7.360 -4.976 585 3HB ALA 80 3HB ALA 80 5.737 -6.173 -3.675 586 H ARG 81 H ARG 81 8.559 -9.469 -4.626 587 HA ARG 81 HA ARG 81 10.226 -7.672 -6.209 588 1HB ARG 81 2HB ARG 81 11.448 -9.815 -6.797 589 2HB ARG 81 1HB ARG 81 11.526 -9.303 -5.118 590 1HG ARG 81 2HG ARG 81 11.217 -11.685 -5.249 591 2HG ARG 81 1HG ARG 81 9.786 -10.936 -4.551 592 1HD ARG 81 2HD ARG 81 8.577 -11.182 -6.594 593 2HD ARG 81 1HD ARG 81 10.028 -11.679 -7.463 594 HE ARG 81 HE ARG 81 9.611 -13.803 -6.766 595 1HH1 ARG 81 1HH1 ARG 81 8.007 -11.621 -4.563 596 2HH1 ARG 81 2HH1 ARG 81 7.315 -12.891 -3.613 597 1HH2 ARG 81 1HH2 ARG 81 8.696 -15.473 -5.520 598 2HH2 ARG 81 2HH2 ARG 81 7.703 -15.078 -4.157 599 HA PRO 82 HA PRO 82 8.076 -8.638 -9.948 600 1HB PRO 82 2HB PRO 82 9.809 -7.700 -11.736 601 2HB PRO 82 1HB PRO 82 9.088 -6.623 -10.537 602 1HG PRO 82 2HG PRO 82 11.817 -7.824 -10.609 603 2HG PRO 82 1HG PRO 82 11.313 -6.213 -10.073 604 1HD PRO 82 2HD PRO 82 11.806 -8.427 -8.421 605 2HD PRO 82 1HD PRO 82 10.971 -6.934 -7.950 606 H GLU 83 H GLU 83 9.344 -9.247 -12.418 607 HA GLU 83 HA GLU 83 9.378 -12.022 -12.404 608 1HB GLU 83 2HB GLU 83 10.696 -10.153 -14.380 609 2HB GLU 83 1HB GLU 83 10.358 -11.855 -14.663 610 1HG GLU 83 2HG GLU 83 7.966 -11.417 -14.445 611 2HG GLU 83 1HG GLU 83 8.305 -9.711 -14.162 612 H GLU 84 H GLU 84 11.825 -9.851 -11.426 613 HA GLU 84 HA GLU 84 14.062 -11.584 -11.908 614 1HB GLU 84 2HB GLU 84 14.261 -9.115 -11.835 615 2HB GLU 84 1HB GLU 84 13.852 -9.151 -10.126 616 1HG GLU 84 2HG GLU 84 15.870 -10.379 -9.630 617 2HG GLU 84 1HG GLU 84 16.260 -10.485 -11.345 618 H ARG 85 H ARG 85 11.602 -12.187 -10.001 619 HA ARG 85 HA ARG 85 11.197 -13.248 -8.044 620 1HB ARG 85 2HB ARG 85 12.706 -15.112 -7.513 621 2HB ARG 85 1HB ARG 85 12.314 -15.050 -9.224 622 1HG ARG 85 2HG ARG 85 14.473 -14.104 -9.726 623 2HG ARG 85 1HG ARG 85 14.869 -14.016 -8.009 624 1HD ARG 85 2HD ARG 85 15.932 -15.947 -9.026 625 2HD ARG 85 1HD ARG 85 14.712 -16.461 -7.862 626 HE ARG 85 HE ARG 85 13.655 -17.531 -9.566 627 1HH1 ARG 85 1HH1 ARG 85 15.628 -15.004 -10.948 628 2HH1 ARG 85 2HH1 ARG 85 15.206 -15.396 -12.580 629 1HH2 ARG 85 1HH2 ARG 85 13.104 -18.050 -11.712 630 2HH2 ARG 85 2HH2 ARG 85 13.776 -17.127 -13.015 631 H ILE 86 H ILE 86 12.444 -14.006 -5.863 632 HA ILE 86 HA ILE 86 13.116 -11.528 -4.605 633 HB ILE 86 HB ILE 86 13.352 -14.284 -3.402 634 1HG1 ILE 86 2HG1 ILE 86 10.947 -12.444 -3.468 635 2HG1 ILE 86 1HG1 ILE 86 11.105 -13.940 -4.384 636 1HG2 ILE 86 1HG2 ILE 86 14.356 -12.229 -2.266 637 2HG2 ILE 86 2HG2 ILE 86 13.249 -13.218 -1.313 638 3HG2 ILE 86 3HG2 ILE 86 12.690 -11.701 -2.021 639 1HD1 ILE 86 1HD1 ILE 86 11.502 -14.970 -2.004 640 2HD1 ILE 86 2HD1 ILE 86 9.874 -14.661 -2.611 641 3HD1 ILE 86 3HD1 ILE 86 10.626 -13.529 -1.485 Start of MODEL 20 1 H ARG 9 H ARG 9 -10.202 -11.325 -7.642 2 HA ARG 9 HA ARG 9 -8.950 -13.833 -7.822 3 1HB ARG 9 2HB ARG 9 -7.867 -12.617 -9.776 4 2HB ARG 9 1HB ARG 9 -7.112 -11.564 -8.591 5 1HG ARG 9 2HG ARG 9 -6.751 -14.551 -8.715 6 2HG ARG 9 1HG ARG 9 -5.632 -13.365 -9.384 7 1HD ARG 9 2HD ARG 9 -5.400 -12.408 -7.085 8 2HD ARG 9 1HD ARG 9 -6.365 -13.757 -6.488 9 HE ARG 9 HE ARG 9 -4.238 -14.795 -7.971 10 1HH1 ARG 9 1HH1 ARG 9 -4.793 -13.065 -4.990 11 2HH1 ARG 9 2HH1 ARG 9 -3.395 -13.718 -4.205 12 1HH2 ARG 9 1HH2 ARG 9 -2.398 -15.654 -6.939 13 2HH2 ARG 9 2HH2 ARG 9 -2.034 -15.188 -5.311 14 H HIS 10 H HIS 10 -7.946 -10.519 -6.955 15 HA HIS 10 HA HIS 10 -7.489 -11.484 -4.213 16 1HB HIS 10 2HB HIS 10 -6.009 -9.364 -4.090 17 2HB HIS 10 1HB HIS 10 -5.403 -10.770 -4.955 18 HD1 HIS 10 1HD HIS 10 -7.459 -7.707 -5.960 19 HD2 HIS 10 2HD HIS 10 -4.247 -10.002 -7.253 20 HE1 HIS 10 1HE HIS 10 -6.690 -6.639 -8.098 21 HE2 HIS 10 2HE HIS 10 -4.687 -7.988 -8.813 22 H GLU 11 H GLU 11 -9.057 -9.067 -6.174 23 HA GLU 11 HA GLU 11 -10.412 -7.290 -5.668 24 1HB GLU 11 2HB GLU 11 -12.304 -7.896 -4.234 25 2HB GLU 11 1HB GLU 11 -11.908 -9.188 -5.359 26 1HG GLU 11 2HG GLU 11 -10.777 -10.409 -3.598 27 2HG GLU 11 1HG GLU 11 -11.091 -9.097 -2.463 28 H LEU 12 H LEU 12 -7.882 -7.276 -4.205 29 HA LEU 12 HA LEU 12 -8.430 -6.388 -1.532 30 1HB LEU 12 2HB LEU 12 -6.313 -7.498 -2.211 31 2HB LEU 12 1HB LEU 12 -5.918 -6.096 -3.184 32 HG LEU 12 HG LEU 12 -6.314 -5.962 -0.196 33 1HD1 LEU 12 1HD1 LEU 12 -3.740 -6.235 -1.743 34 2HD1 LEU 12 2HD1 LEU 12 -4.467 -7.479 -0.727 35 3HD1 LEU 12 3HD1 LEU 12 -3.889 -5.978 -0.005 36 1HD2 LEU 12 1HD2 LEU 12 -5.753 -4.030 -2.309 37 2HD2 LEU 12 2HD2 LEU 12 -4.593 -3.969 -0.981 38 3HD2 LEU 12 3HD2 LEU 12 -6.315 -3.772 -0.658 39 H ILE 13 H ILE 13 -8.098 -4.909 -4.668 40 HA ILE 13 HA ILE 13 -7.536 -2.279 -3.968 41 HB ILE 13 HB ILE 13 -9.331 -3.192 -6.218 42 1HG1 ILE 13 2HG1 ILE 13 -6.338 -2.729 -6.155 43 2HG1 ILE 13 1HG1 ILE 13 -7.132 -4.297 -6.269 44 1HG2 ILE 13 1HG2 ILE 13 -8.275 -1.031 -7.230 45 2HG2 ILE 13 2HG2 ILE 13 -8.020 -0.595 -5.541 46 3HG2 ILE 13 3HG2 ILE 13 -9.651 -0.908 -6.134 47 1HD1 ILE 13 1HD1 ILE 13 -7.197 -4.121 -8.469 48 2HD1 ILE 13 2HD1 ILE 13 -6.348 -2.579 -8.355 49 3HD1 ILE 13 3HD1 ILE 13 -8.112 -2.619 -8.349 50 H GLY 14 H GLY 14 -8.918 -0.416 -3.769 51 1HA GLY 14 2HA GLY 14 -10.956 0.668 -3.338 52 2HA GLY 14 1HA GLY 14 -11.731 -0.898 -3.174 53 H LEU 15 H LEU 15 -9.386 -1.638 -1.313 54 HA LEU 15 HA LEU 15 -10.748 -0.967 1.104 55 1HB LEU 15 2HB LEU 15 -8.054 -2.261 0.689 56 2HB LEU 15 1HB LEU 15 -8.921 -2.194 2.210 57 HG LEU 15 HG LEU 15 -9.887 -3.626 -0.266 58 1HD1 LEU 15 1HD1 LEU 15 -7.830 -4.515 1.030 59 2HD1 LEU 15 2HD1 LEU 15 -9.149 -5.619 0.640 60 3HD1 LEU 15 3HD1 LEU 15 -9.011 -4.949 2.266 61 1HD2 LEU 15 1HD2 LEU 15 -11.790 -4.159 0.833 62 2HD2 LEU 15 2HD2 LEU 15 -11.455 -2.647 1.678 63 3HD2 LEU 15 3HD2 LEU 15 -11.002 -4.185 2.409 64 H SER 16 H SER 16 -9.596 -0.050 3.012 65 HA SER 16 HA SER 16 -8.290 2.439 2.232 66 1HB SER 16 2HB SER 16 -8.640 3.039 4.643 67 2HB SER 16 1HB SER 16 -10.129 2.645 3.783 68 HG SER 16 HG SER 16 -10.433 1.105 5.159 69 H VAL 17 H VAL 17 -6.322 3.184 3.328 70 HA VAL 17 HA VAL 17 -4.743 1.103 4.633 71 HB VAL 17 HB VAL 17 -3.694 2.553 2.205 72 1HG1 VAL 17 1HG1 VAL 17 -1.898 0.760 2.428 73 2HG1 VAL 17 2HG1 VAL 17 -2.527 0.496 4.054 74 3HG1 VAL 17 3HG1 VAL 17 -1.876 2.073 3.605 75 1HG2 VAL 17 1HG2 VAL 17 -3.699 0.158 1.262 76 2HG2 VAL 17 2HG2 VAL 17 -5.224 1.044 1.305 77 3HG2 VAL 17 3HG2 VAL 17 -4.879 -0.181 2.527 78 H ARG 18 H ARG 18 -3.444 1.869 6.183 79 HA ARG 18 HA ARG 18 -3.043 4.784 6.332 80 1HB ARG 18 2HB ARG 18 -3.366 2.716 8.495 81 2HB ARG 18 1HB ARG 18 -2.617 4.271 8.823 82 1HG ARG 18 2HG ARG 18 -4.894 4.422 9.457 83 2HG ARG 18 1HG ARG 18 -4.696 5.363 7.978 84 1HD ARG 18 2HD ARG 18 -5.604 3.515 6.673 85 2HD ARG 18 1HD ARG 18 -5.772 2.550 8.138 86 HE ARG 18 HE ARG 18 -7.150 4.991 8.437 87 1HH1 ARG 18 1HH1 ARG 18 -7.362 1.941 6.761 88 2HH1 ARG 18 2HH1 ARG 18 -9.089 1.987 6.639 89 1HH2 ARG 18 1HH2 ARG 18 -9.422 5.053 8.279 90 2HH2 ARG 18 2HH2 ARG 18 -10.258 3.752 7.500 91 H ILE 19 H ILE 19 -1.020 5.543 6.298 92 HA ILE 19 HA ILE 19 1.171 3.634 6.107 93 HB ILE 19 HB ILE 19 1.215 6.634 5.736 94 1HG1 ILE 19 2HG1 ILE 19 -0.245 5.546 4.092 95 2HG1 ILE 19 1HG1 ILE 19 1.227 6.146 3.327 96 1HG2 ILE 19 1HG2 ILE 19 3.412 6.504 5.379 97 2HG2 ILE 19 2HG2 ILE 19 3.248 5.065 4.375 98 3HG2 ILE 19 3HG2 ILE 19 3.331 4.911 6.130 99 1HD1 ILE 19 1HD1 ILE 19 0.508 3.299 3.988 100 2HD1 ILE 19 2HD1 ILE 19 2.143 3.796 3.552 101 3HD1 ILE 19 3HD1 ILE 19 0.822 4.007 2.402 102 H ALA 20 H ALA 20 2.282 3.080 7.862 103 HA ALA 20 HA ALA 20 2.222 4.766 10.225 104 1HB ALA 20 1HB ALA 20 2.874 1.939 9.665 105 2HB ALA 20 2HB ALA 20 1.945 2.647 10.986 106 3HB ALA 20 3HB ALA 20 3.708 2.698 11.021 107 H ARG 21 H ARG 21 4.484 3.588 7.854 108 HA ARG 21 HA ARG 21 6.325 5.701 8.459 109 1HB ARG 21 2HB ARG 21 7.170 2.823 8.811 110 2HB ARG 21 1HB ARG 21 8.278 4.184 8.746 111 1HG ARG 21 2HG ARG 21 6.125 3.804 10.818 112 2HG ARG 21 1HG ARG 21 7.832 3.417 11.036 113 1HD ARG 21 2HD ARG 21 8.424 5.753 10.676 114 2HD ARG 21 1HD ARG 21 6.730 6.155 10.400 115 HE ARG 21 HE ARG 21 6.948 4.936 12.907 116 1HH1 ARG 21 1HH1 ARG 21 7.921 7.878 11.303 117 2HH1 ARG 21 2HH1 ARG 21 7.916 8.821 12.756 118 1HH2 ARG 21 1HH2 ARG 21 6.941 6.173 14.820 119 2HH2 ARG 21 2HH2 ARG 21 7.360 7.852 14.753 120 H SER 22 H SER 22 7.536 6.271 6.699 121 HA SER 22 HA SER 22 7.587 4.446 4.407 122 1HB SER 22 2HB SER 22 6.925 6.259 2.876 123 2HB SER 22 1HB SER 22 5.656 5.918 4.054 124 HG SER 22 HG SER 22 7.576 7.991 4.316 125 H VAL 23 H VAL 23 9.100 5.195 2.695 126 HA VAL 23 HA VAL 23 11.638 5.707 3.749 127 HB VAL 23 HB VAL 23 11.322 4.567 1.614 128 1HG1 VAL 23 1HG1 VAL 23 10.510 7.259 0.519 129 2HG1 VAL 23 2HG1 VAL 23 9.417 5.909 0.813 130 3HG1 VAL 23 3HG1 VAL 23 10.690 5.764 -0.400 131 1HG2 VAL 23 1HG2 VAL 23 12.892 7.126 1.287 132 2HG2 VAL 23 2HG2 VAL 23 13.111 5.640 0.361 133 3HG2 VAL 23 3HG2 VAL 23 13.471 5.666 2.087 134 H HIS 24 H HIS 24 9.330 7.864 2.140 135 HA HIS 24 HA HIS 24 11.082 10.141 2.737 136 1HB HIS 24 2HB HIS 24 8.657 9.965 0.936 137 2HB HIS 24 1HB HIS 24 9.637 11.407 1.179 138 HD1 HIS 24 1HD HIS 24 12.384 10.736 0.673 139 HD2 HIS 24 2HD HIS 24 9.350 8.753 -1.361 140 HE1 HIS 24 1HE HIS 24 13.467 9.786 -1.388 141 HE2 HIS 24 2HE HIS 24 11.633 8.509 -2.554 142 H ARG 25 H ARG 25 10.539 11.668 4.185 143 HA ARG 25 HA ARG 25 8.437 11.153 6.023 144 1HB ARG 25 2HB ARG 25 9.130 13.271 7.080 145 2HB ARG 25 1HB ARG 25 10.491 12.203 6.765 146 1HG ARG 25 2HG ARG 25 11.054 13.504 4.775 147 2HG ARG 25 1HG ARG 25 9.691 14.575 5.091 148 1HD ARG 25 2HD ARG 25 10.694 15.223 7.227 149 2HD ARG 25 1HD ARG 25 12.049 14.138 6.924 150 HE ARG 25 HE ARG 25 12.978 15.784 5.662 151 1HH1 ARG 25 1HH1 ARG 25 9.534 16.346 5.785 152 2HH1 ARG 25 2HH1 ARG 25 9.613 17.795 4.840 153 1HH2 ARG 25 1HH2 ARG 25 13.081 17.691 4.426 154 2HH2 ARG 25 2HH2 ARG 25 11.625 18.559 4.070 155 H ASP 26 H ASP 26 8.666 13.025 3.142 156 HA ASP 26 HA ASP 26 6.591 14.864 3.630 157 1HB ASP 26 2HB ASP 26 7.576 13.747 0.999 158 2HB ASP 26 1HB ASP 26 6.547 15.164 1.179 159 H ILE 27 H ILE 27 6.571 11.532 2.835 160 HA ILE 27 HA ILE 27 3.702 11.626 2.305 161 HB ILE 27 HB ILE 27 3.940 9.423 1.246 162 1HG1 ILE 27 2HG1 ILE 27 6.891 9.850 1.772 163 2HG1 ILE 27 1HG1 ILE 27 5.873 8.605 2.485 164 1HG2 ILE 27 1HG2 ILE 27 3.974 11.174 -0.291 165 2HG2 ILE 27 2HG2 ILE 27 5.405 10.231 -0.704 166 3HG2 ILE 27 3HG2 ILE 27 5.569 11.723 0.223 167 1HD1 ILE 27 1HD1 ILE 27 6.564 8.848 -0.434 168 2HD1 ILE 27 2HD1 ILE 27 5.562 7.592 0.293 169 3HD1 ILE 27 3HD1 ILE 27 7.272 7.708 0.711 170 H GLN 28 H GLN 28 6.121 10.514 4.451 171 HA GLN 28 HA GLN 28 4.926 8.280 5.604 172 1HB GLN 28 2HB GLN 28 7.236 8.957 6.052 173 2HB GLN 28 1HB GLN 28 6.664 10.382 6.910 174 1HG GLN 28 2HG GLN 28 5.586 8.919 8.568 175 2HG GLN 28 1HG GLN 28 6.241 7.516 7.726 176 1HE2 GLN 28 1HE2 GLN 28 7.996 6.721 8.616 177 2HE2 GLN 28 2HE2 GLN 28 9.193 7.607 9.490 178 H GLY 29 H GLY 29 3.762 8.017 7.564 179 1HA GLY 29 2HA GLY 29 2.086 8.468 9.059 180 2HA GLY 29 1HA GLY 29 2.672 10.121 9.075 181 H ILE 30 H ILE 30 1.754 8.994 5.978 182 HA ILE 30 HA ILE 30 -0.683 10.581 6.168 183 HB ILE 30 HB ILE 30 0.856 9.775 3.703 184 1HG1 ILE 30 2HG1 ILE 30 0.648 12.414 5.172 185 2HG1 ILE 30 1HG1 ILE 30 2.085 11.402 5.028 186 1HG2 ILE 30 1HG2 ILE 30 -0.900 10.392 2.496 187 2HG2 ILE 30 2HG2 ILE 30 -0.935 11.964 3.295 188 3HG2 ILE 30 3HG2 ILE 30 -1.827 10.606 3.981 189 1HD1 ILE 30 1HD1 ILE 30 0.781 13.145 2.984 190 2HD1 ILE 30 2HD1 ILE 30 1.736 11.754 2.470 191 3HD1 ILE 30 3HD1 ILE 30 2.481 13.024 3.442 192 H SER 31 H SER 31 -2.621 9.671 5.979 193 HA SER 31 HA SER 31 -2.760 6.817 5.345 194 1HB SER 31 2HB SER 31 -3.819 7.529 7.438 195 2HB SER 31 1HB SER 31 -4.829 8.672 6.552 196 HG SER 31 HG SER 31 -6.122 7.098 6.040 197 H GLY 32 H GLY 32 -4.575 6.051 3.974 198 1HA GLY 32 2HA GLY 32 -5.974 7.853 2.283 199 2HA GLY 32 1HA GLY 32 -4.550 7.235 1.460 200 H ARG 33 H ARG 33 -6.123 6.366 -0.047 201 HA ARG 33 HA ARG 33 -7.204 3.822 0.919 202 1HB ARG 33 2HB ARG 33 -8.879 5.660 0.336 203 2HB ARG 33 1HB ARG 33 -8.476 5.327 -1.331 204 1HG ARG 33 2HG ARG 33 -9.640 3.400 -1.356 205 2HG ARG 33 1HG ARG 33 -9.092 2.948 0.254 206 1HD ARG 33 2HD ARG 33 -11.154 5.089 -0.186 207 2HD ARG 33 1HD ARG 33 -11.587 3.386 -0.069 208 HE ARG 33 HE ARG 33 -11.049 3.415 2.192 209 1HH1 ARG 33 1HH1 ARG 33 -10.428 6.537 0.754 210 2HH1 ARG 33 2HH1 ARG 33 -10.139 7.312 2.270 211 1HH2 ARG 33 1HH2 ARG 33 -10.688 4.447 4.182 212 2HH2 ARG 33 2HH2 ARG 33 -10.289 6.131 4.213 213 H VAL 34 H VAL 34 -7.603 2.276 -1.046 214 HA VAL 34 HA VAL 34 -5.011 2.146 -2.399 215 HB VAL 34 HB VAL 34 -5.567 0.307 -0.899 216 1HG1 VAL 34 1HG1 VAL 34 -7.520 -0.746 -0.876 217 2HG1 VAL 34 2HG1 VAL 34 -7.473 -1.025 -2.613 218 3HG1 VAL 34 3HG1 VAL 34 -8.103 0.495 -1.984 219 1HG2 VAL 34 1HG2 VAL 34 -4.968 -1.510 -2.386 220 2HG2 VAL 34 2HG2 VAL 34 -4.081 -0.052 -2.832 221 3HG2 VAL 34 3HG2 VAL 34 -5.474 -0.562 -3.787 222 H VAL 35 H VAL 35 -4.758 1.365 -4.542 223 HA VAL 35 HA VAL 35 -7.168 1.264 -6.170 224 HB VAL 35 HB VAL 35 -6.079 3.594 -6.329 225 1HG1 VAL 35 1HG1 VAL 35 -3.802 2.892 -6.582 226 2HG1 VAL 35 2HG1 VAL 35 -4.337 3.822 -7.977 227 3HG1 VAL 35 3HG1 VAL 35 -4.201 2.069 -8.085 228 1HG2 VAL 35 1HG2 VAL 35 -7.797 2.456 -7.862 229 2HG2 VAL 35 2HG2 VAL 35 -6.442 2.224 -8.965 230 3HG2 VAL 35 3HG2 VAL 35 -6.923 3.852 -8.490 231 H ASP 36 H ASP 36 -3.626 0.919 -6.154 232 HA ASP 36 HA ASP 36 -3.816 -1.738 -7.208 233 1HB ASP 36 2HB ASP 36 -3.987 -0.422 -9.278 234 2HB ASP 36 1HB ASP 36 -2.496 0.420 -8.869 235 H GLU 37 H GLU 37 -1.590 -2.722 -7.444 236 HA GLU 37 HA GLU 37 0.334 -1.420 -5.632 237 1HB GLU 37 2HB GLU 37 -0.310 -4.371 -5.796 238 2HB GLU 37 1HB GLU 37 0.952 -3.661 -4.798 239 1HG GLU 37 2HG GLU 37 -0.737 -2.428 -3.537 240 2HG GLU 37 1HG GLU 37 -2.001 -3.140 -4.537 241 H THR 38 H THR 38 2.421 -1.332 -6.326 242 HA THR 38 HA THR 38 3.063 -2.796 -8.802 243 HB THR 38 HB THR 38 4.081 -0.074 -7.971 244 HG1 THR 38 1HG THR 38 1.926 0.045 -8.608 245 1HG2 THR 38 1HG2 THR 38 4.277 -1.145 -10.737 246 2HG2 THR 38 2HG2 THR 38 5.479 -1.620 -9.538 247 3HG2 THR 38 3HG2 THR 38 5.250 0.083 -9.930 248 H ARG 39 H ARG 39 5.159 -3.598 -9.032 249 HA ARG 39 HA ARG 39 6.336 -4.730 -6.802 250 1HB ARG 39 2HB ARG 39 8.238 -5.256 -8.254 251 2HB ARG 39 1HB ARG 39 6.706 -5.559 -9.059 252 1HG ARG 39 2HG ARG 39 6.918 -3.454 -10.274 253 2HG ARG 39 1HG ARG 39 8.450 -3.140 -9.460 254 1HD ARG 39 2HD ARG 39 9.410 -5.142 -10.467 255 2HD ARG 39 1HD ARG 39 7.873 -5.498 -11.254 256 HE ARG 39 HE ARG 39 9.872 -3.728 -12.183 257 1HH1 ARG 39 1HH1 ARG 39 6.405 -4.099 -12.002 258 2HH1 ARG 39 2HH1 ARG 39 6.100 -3.076 -13.363 259 1HH2 ARG 39 1HH2 ARG 39 9.470 -2.386 -13.978 260 2HH2 ARG 39 2HH2 ARG 39 7.838 -2.106 -14.488 261 H ASN 40 H ASN 40 6.714 -1.519 -8.014 262 HA ASN 40 HA ASN 40 8.735 -1.052 -5.942 263 1HB ASN 40 2HB ASN 40 9.961 0.479 -7.416 264 2HB ASN 40 1HB ASN 40 9.950 -1.165 -8.033 265 1HD2 ASN 40 1HD2 ASN 40 6.912 0.135 -8.582 266 2HD2 ASN 40 2HD2 ASN 40 7.160 0.688 -10.190 267 H THR 41 H THR 41 5.701 -0.392 -6.646 268 HA THR 41 HA THR 41 5.776 2.103 -5.222 269 HB THR 41 HB THR 41 4.353 3.270 -6.983 270 HG1 THR 41 1HG THR 41 3.905 2.069 -8.628 271 1HG2 THR 41 1HG2 THR 41 7.170 2.743 -7.866 272 2HG2 THR 41 2HG2 THR 41 6.748 3.804 -6.521 273 3HG2 THR 41 3HG2 THR 41 6.187 4.180 -8.151 274 H LEU 42 H LEU 42 3.640 2.922 -4.702 275 HA LEU 42 HA LEU 42 1.588 0.804 -4.711 276 1HB LEU 42 2HB LEU 42 2.714 1.099 -2.519 277 2HB LEU 42 1HB LEU 42 2.172 2.755 -2.483 278 HG LEU 42 HG LEU 42 0.823 1.294 -1.049 279 1HD1 LEU 42 1HD1 LEU 42 -0.090 3.322 -2.373 280 2HD1 LEU 42 2HD1 LEU 42 -1.235 2.226 -1.597 281 3HD1 LEU 42 3HD1 LEU 42 -0.940 2.111 -3.332 282 1HD2 LEU 42 1HD2 LEU 42 0.899 -0.418 -3.344 283 2HD2 LEU 42 2HD2 LEU 42 -0.780 -0.055 -2.945 284 3HD2 LEU 42 3HD2 LEU 42 0.283 -0.756 -1.726 285 H ARG 43 H ARG 43 -0.263 1.414 -5.633 286 HA ARG 43 HA ARG 43 -0.673 4.273 -6.089 287 1HB ARG 43 2HB ARG 43 -0.676 2.335 -7.887 288 2HB ARG 43 1HB ARG 43 -2.344 2.163 -7.381 289 1HG ARG 43 2HG ARG 43 -2.696 4.567 -7.905 290 2HG ARG 43 1HG ARG 43 -1.040 4.631 -8.504 291 1HD ARG 43 2HD ARG 43 -3.284 2.932 -9.593 292 2HD ARG 43 1HD ARG 43 -2.559 4.340 -10.365 293 HE ARG 43 HE ARG 43 -1.607 1.682 -10.470 294 1HH1 ARG 43 1HH1 ARG 43 -0.492 4.985 -10.288 295 2HH1 ARG 43 2HH1 ARG 43 1.052 4.631 -10.987 296 1HH2 ARG 43 1HH2 ARG 43 0.419 1.219 -11.393 297 2HH2 ARG 43 2HH2 ARG 43 1.569 2.495 -11.617 298 H ILE 44 H ILE 44 -2.207 5.347 -5.063 299 HA ILE 44 HA ILE 44 -4.012 3.893 -3.256 300 HB ILE 44 HB ILE 44 -2.799 6.645 -3.183 301 1HG1 ILE 44 2HG1 ILE 44 -2.685 4.311 -1.271 302 2HG1 ILE 44 1HG1 ILE 44 -1.411 4.804 -2.381 303 1HG2 ILE 44 1HG2 ILE 44 -4.329 7.503 -1.847 304 2HG2 ILE 44 2HG2 ILE 44 -4.315 6.083 -0.808 305 3HG2 ILE 44 3HG2 ILE 44 -5.358 6.125 -2.227 306 1HD1 ILE 44 1HD1 ILE 44 -2.116 5.841 0.246 307 2HD1 ILE 44 2HD1 ILE 44 -1.871 7.097 -0.969 308 3HD1 ILE 44 3HD1 ILE 44 -0.595 5.926 -0.641 309 H GLU 45 H GLU 45 -6.149 3.818 -3.741 310 HA GLU 45 HA GLU 45 -7.317 6.234 -4.904 311 1HB GLU 45 2HB GLU 45 -7.291 4.739 -6.776 312 2HB GLU 45 1HB GLU 45 -7.928 3.413 -5.808 313 1HG GLU 45 2HG GLU 45 -10.029 4.666 -5.540 314 2HG GLU 45 1HG GLU 45 -9.378 5.939 -6.571 315 H MET 46 H MET 46 -9.248 6.793 -4.133 316 HA MET 46 HA MET 46 -10.364 5.174 -1.955 317 1HB MET 46 2HB MET 46 -11.043 7.301 -0.881 318 2HB MET 46 1HB MET 46 -9.301 7.116 -1.013 319 1HG MET 46 2HG MET 46 -9.735 8.465 -3.259 320 2HG MET 46 1HG MET 46 -11.118 9.035 -2.326 321 1HE MET 46 1HE MET 46 -7.250 9.004 -2.746 322 2HE MET 46 2HE MET 46 -7.447 8.013 -1.295 323 3HE MET 46 3HE MET 46 -6.690 9.602 -1.179 324 H ASP 47 H ASP 47 -12.463 4.767 -1.929 325 HA ASP 47 HA ASP 47 -14.032 4.671 -4.116 326 1HB ASP 47 2HB ASP 47 -14.998 5.088 -1.286 327 2HB ASP 47 1HB ASP 47 -15.978 4.478 -2.614 328 H ASP 48 H ASP 48 -13.476 7.501 -2.204 329 HA ASP 48 HA ASP 48 -15.711 9.026 -2.919 330 1HB ASP 48 2HB ASP 48 -12.878 9.964 -2.403 331 2HB ASP 48 1HB ASP 48 -14.305 10.996 -2.419 332 H GLY 49 H GLY 49 -13.151 7.855 -4.824 333 1HA GLY 49 2HA GLY 49 -13.252 7.932 -7.195 334 2HA GLY 49 1HA GLY 49 -14.067 9.483 -7.083 335 H ARG 50 H ARG 50 -11.407 9.042 -4.994 336 HA ARG 50 HA ARG 50 -9.799 10.813 -6.716 337 1HB ARG 50 2HB ARG 50 -9.658 10.385 -3.743 338 2HB ARG 50 1HB ARG 50 -8.588 11.434 -4.650 339 1HG ARG 50 2HG ARG 50 -11.575 11.777 -4.486 340 2HG ARG 50 1HG ARG 50 -10.413 12.618 -3.459 341 1HD ARG 50 2HD ARG 50 -10.942 14.120 -5.198 342 2HD ARG 50 1HD ARG 50 -9.351 13.474 -5.590 343 HE ARG 50 HE ARG 50 -11.331 11.928 -6.854 344 1HH1 ARG 50 1HH1 ARG 50 -9.853 15.082 -7.028 345 2HH1 ARG 50 2HH1 ARG 50 -10.155 15.267 -8.724 346 1HH2 ARG 50 1HH2 ARG 50 -11.729 12.168 -9.083 347 2HH2 ARG 50 2HH2 ARG 50 -11.218 13.614 -9.891 348 H GLU 51 H GLU 51 -7.437 10.550 -6.628 349 HA GLU 51 HA GLU 51 -6.484 7.912 -5.889 350 1HB GLU 51 2HB GLU 51 -6.379 8.893 -8.748 351 2HB GLU 51 1HB GLU 51 -5.587 7.446 -8.142 352 1HG GLU 51 2HG GLU 51 -7.762 6.488 -7.585 353 2HG GLU 51 1HG GLU 51 -8.555 7.938 -8.198 354 H ILE 52 H ILE 52 -4.260 7.793 -5.664 355 HA ILE 52 HA ILE 52 -2.518 9.946 -6.459 356 HB ILE 52 HB ILE 52 -3.507 10.891 -4.419 357 1HG1 ILE 52 2HG1 ILE 52 -1.396 11.329 -3.197 358 2HG1 ILE 52 1HG1 ILE 52 -0.629 10.015 -4.087 359 1HG2 ILE 52 1HG2 ILE 52 -3.693 8.405 -3.476 360 2HG2 ILE 52 2HG2 ILE 52 -3.682 9.825 -2.431 361 3HG2 ILE 52 3HG2 ILE 52 -2.203 8.897 -2.672 362 1HD1 ILE 52 1HD1 ILE 52 -1.027 11.239 -6.192 363 2HD1 ILE 52 2HD1 ILE 52 -0.024 12.152 -5.062 364 3HD1 ILE 52 3HD1 ILE 52 -1.727 12.568 -5.264 365 H THR 53 H THR 53 -0.262 9.414 -6.150 366 HA THR 53 HA THR 53 0.146 6.530 -5.783 367 HB THR 53 HB THR 53 0.796 7.494 -7.950 368 HG1 THR 53 1HG THR 53 2.604 6.342 -8.048 369 1HG2 THR 53 1HG2 THR 53 1.488 9.733 -7.043 370 2HG2 THR 53 2HG2 THR 53 2.570 9.009 -8.234 371 3HG2 THR 53 3HG2 THR 53 2.985 8.959 -6.520 372 H VAL 54 H VAL 54 1.844 5.705 -4.536 373 HA VAL 54 HA VAL 54 3.480 7.505 -2.958 374 HB VAL 54 HB VAL 54 1.607 5.575 -1.581 375 1HG1 VAL 54 1HG1 VAL 54 3.634 7.523 -0.479 376 2HG1 VAL 54 2HG1 VAL 54 3.723 5.764 -0.415 377 3HG1 VAL 54 3HG1 VAL 54 2.473 6.616 0.490 378 1HG2 VAL 54 1HG2 VAL 54 0.339 7.459 -2.345 379 2HG2 VAL 54 2HG2 VAL 54 1.569 8.584 -1.771 380 3HG2 VAL 54 3HG2 VAL 54 0.616 7.657 -0.613 381 HA PRO 55 HA PRO 55 6.224 4.053 -3.811 382 1HB PRO 55 2HB PRO 55 7.993 5.363 -1.845 383 2HB PRO 55 1HB PRO 55 8.286 4.986 -3.545 384 1HG PRO 55 2HG PRO 55 7.894 7.502 -2.727 385 2HG PRO 55 1HG PRO 55 7.276 6.929 -4.287 386 1HD PRO 55 2HD PRO 55 5.814 7.337 -1.706 387 2HD PRO 55 1HD PRO 55 5.307 7.727 -3.361 388 H LYS 56 H LYS 56 5.835 2.117 -2.918 389 HA LYS 56 HA LYS 56 5.679 1.883 0.001 390 1HB LYS 56 2HB LYS 56 4.714 -0.359 -0.434 391 2HB LYS 56 1HB LYS 56 3.762 0.960 -1.090 392 1HG LYS 56 2HG LYS 56 4.649 0.519 -3.311 393 2HG LYS 56 1HG LYS 56 5.672 -0.760 -2.662 394 1HD LYS 56 2HD LYS 56 2.663 -0.781 -2.484 395 2HD LYS 56 1HD LYS 56 3.567 -1.537 -3.794 396 1HE LYS 56 2HE LYS 56 3.081 -3.252 -2.241 397 2HE LYS 56 1HE LYS 56 4.787 -2.860 -2.028 398 1HZ LYS 56 1HZ LYS 56 3.054 -1.323 -0.331 399 2HZ LYS 56 2HZ LYS 56 4.435 -2.220 0.061 400 3HZ LYS 56 3HZ LYS 56 2.934 -2.987 -0.054 401 H GLY 57 H GLY 57 8.009 1.538 -2.319 402 1HA GLY 57 2HA GLY 57 9.187 -0.918 -1.987 403 2HA GLY 57 1HA GLY 57 10.101 0.565 -2.218 404 H ILE 58 H ILE 58 8.986 1.635 0.348 405 HA ILE 58 HA ILE 58 10.054 -0.100 2.376 406 HB ILE 58 HB ILE 58 11.266 2.643 2.027 407 1HG1 ILE 58 2HG1 ILE 58 13.408 1.238 1.648 408 2HG1 ILE 58 1HG1 ILE 58 12.305 -0.080 1.268 409 1HG2 ILE 58 1HG2 ILE 58 12.560 2.216 3.912 410 2HG2 ILE 58 2HG2 ILE 58 12.267 0.479 3.840 411 3HG2 ILE 58 3HG2 ILE 58 10.978 1.569 4.345 412 1HD1 ILE 58 1HD1 ILE 58 13.184 2.084 -0.377 413 2HD1 ILE 58 2HD1 ILE 58 11.427 2.118 -0.227 414 3HD1 ILE 58 3HD1 ILE 58 12.234 0.662 -0.810 415 H ALA 59 H ALA 59 7.546 0.332 2.394 416 HA ALA 59 HA ALA 59 7.135 2.412 4.405 417 1HB ALA 59 1HB ALA 59 5.413 3.494 3.325 418 2HB ALA 59 2HB ALA 59 5.080 2.124 2.265 419 3HB ALA 59 3HB ALA 59 6.511 3.120 1.995 420 H VAL 60 H VAL 60 6.431 1.372 6.170 421 HA VAL 60 HA VAL 60 4.851 -1.035 5.993 422 HB VAL 60 HB VAL 60 6.463 -0.747 7.831 423 1HG1 VAL 60 1HG1 VAL 60 4.696 1.126 9.284 424 2HG1 VAL 60 2HG1 VAL 60 5.669 1.806 7.978 425 3HG1 VAL 60 3HG1 VAL 60 6.452 0.964 9.315 426 1HG2 VAL 60 1HG2 VAL 60 4.854 -1.302 9.716 427 2HG2 VAL 60 2HG2 VAL 60 4.744 -2.304 8.269 428 3HG2 VAL 60 3HG2 VAL 60 3.555 -1.032 8.553 429 H PHE 61 H PHE 61 2.686 -1.157 5.924 430 HA PHE 61 HA PHE 61 1.073 0.910 7.146 431 1HB PHE 61 2HB PHE 61 -0.196 1.413 5.090 432 2HB PHE 61 1HB PHE 61 1.490 1.905 4.971 433 HD1 PHE 61 1HD PHE 61 2.570 1.456 3.010 434 HD2 PHE 61 2HD PHE 61 -0.634 -1.079 4.202 435 HE1 PHE 61 1HE PHE 61 2.789 0.195 0.909 436 HE2 PHE 61 2HE PHE 61 -0.414 -2.347 2.107 437 HZ PHE 61 HZ PHE 61 1.295 -1.710 0.457 438 H HIS 62 H HIS 62 -1.098 0.355 7.415 439 HA HIS 62 HA HIS 62 -1.698 -2.497 6.954 440 1HB HIS 62 2HB HIS 62 -2.604 -0.709 9.224 441 2HB HIS 62 1HB HIS 62 -3.076 -2.390 9.003 442 HD1 HIS 62 1HD HIS 62 -1.833 -1.945 11.596 443 HD2 HIS 62 2HD HIS 62 0.487 -2.577 8.206 444 HE1 HIS 62 1HE HIS 62 0.400 -2.728 12.444 445 HE2 HIS 62 2HE HIS 62 1.814 -3.023 10.381 446 H PHE 63 H PHE 63 -3.641 -2.999 5.988 447 HA PHE 63 HA PHE 63 -5.292 -0.692 5.214 448 1HB PHE 63 2HB PHE 63 -5.957 -1.883 3.246 449 2HB PHE 63 1HB PHE 63 -4.207 -1.977 3.364 450 HD1 PHE 63 1HD PHE 63 -7.256 -3.921 4.294 451 HD2 PHE 63 2HD PHE 63 -3.192 -4.007 3.036 452 HE1 PHE 63 1HE PHE 63 -7.384 -6.365 4.062 453 HE2 PHE 63 2HE PHE 63 -3.313 -6.453 2.801 454 HZ PHE 63 HZ PHE 63 -5.412 -7.636 3.312 455 H ARG 64 H ARG 64 -7.450 -0.657 5.549 456 HA ARG 64 HA ARG 64 -8.531 -2.821 7.224 457 1HB ARG 64 2HB ARG 64 -9.420 0.060 6.996 458 2HB ARG 64 1HB ARG 64 -10.141 -1.148 8.048 459 1HG ARG 64 2HG ARG 64 -7.307 -0.148 8.214 460 2HG ARG 64 1HG ARG 64 -8.639 0.337 9.264 461 1HD ARG 64 2HD ARG 64 -7.530 -2.455 8.981 462 2HD ARG 64 1HD ARG 64 -7.230 -1.357 10.326 463 HE ARG 64 HE ARG 64 -9.482 -3.031 9.990 464 1HH1 ARG 64 1HH1 ARG 64 -8.568 0.130 11.155 465 2HH1 ARG 64 2HH1 ARG 64 -9.929 0.270 12.214 466 1HH2 ARG 64 1HH2 ARG 64 -11.269 -2.851 11.390 467 2HH2 ARG 64 2HH2 ARG 64 -11.461 -1.422 12.351 468 H THR 65 H THR 65 -10.469 -3.772 6.740 469 HA THR 65 HA THR 65 -11.548 -3.183 4.069 470 HB THR 65 HB THR 65 -11.748 -5.709 5.722 471 HG1 THR 65 1HG THR 65 -9.776 -5.820 4.937 472 1HG2 THR 65 1HG2 THR 65 -12.368 -6.616 3.361 473 2HG2 THR 65 2HG2 THR 65 -12.909 -4.960 3.090 474 3HG2 THR 65 3HG2 THR 65 -13.604 -5.910 4.403 475 HA PRO 66 HA PRO 66 -15.178 -1.316 5.846 476 1HB PRO 66 2HB PRO 66 -16.454 -2.802 3.582 477 2HB PRO 66 1HB PRO 66 -16.683 -1.126 4.097 478 1HG PRO 66 2HG PRO 66 -15.160 -1.699 1.990 479 2HG PRO 66 1HG PRO 66 -14.701 -0.417 3.125 480 1HD PRO 66 2HD PRO 66 -13.548 -3.130 2.769 481 2HD PRO 66 1HD PRO 66 -12.770 -1.634 3.322 482 H GLN 67 H GLN 67 -15.094 -4.726 4.944 483 HA GLN 67 HA GLN 67 -17.430 -5.552 6.255 484 1HB GLN 67 2HB GLN 67 -14.887 -7.104 5.752 485 2HB GLN 67 1HB GLN 67 -16.432 -7.809 6.205 486 1HG GLN 67 2HG GLN 67 -17.423 -6.969 4.136 487 2HG GLN 67 1HG GLN 67 -15.870 -6.273 3.680 488 1HE2 GLN 67 1HE2 GLN 67 -14.821 -7.437 2.254 489 2HE2 GLN 67 2HE2 GLN 67 -14.846 -9.158 2.114 490 H GLY 68 H GLY 68 -14.454 -4.475 7.521 491 1HA GLY 68 2HA GLY 68 -14.281 -3.930 9.847 492 2HA GLY 68 1HA GLY 68 -15.315 -5.305 10.207 493 H GLU 69 H GLU 69 -12.410 -5.080 8.174 494 HA GLU 69 HA GLU 69 -11.106 -6.997 9.998 495 1HB GLU 69 2HB GLU 69 -10.966 -6.995 6.980 496 2HB GLU 69 1HB GLU 69 -10.072 -8.074 8.041 497 1HG GLU 69 2HG GLU 69 -12.170 -9.022 8.850 498 2HG GLU 69 1HG GLU 69 -13.069 -7.937 7.789 499 H LEU 70 H LEU 70 -8.824 -6.904 10.121 500 HA LEU 70 HA LEU 70 -7.627 -4.429 9.064 501 1HB LEU 70 2HB LEU 70 -8.173 -4.237 11.477 502 2HB LEU 70 1HB LEU 70 -7.150 -5.620 11.798 503 HG LEU 70 HG LEU 70 -6.147 -3.028 10.614 504 1HD1 LEU 70 1HD1 LEU 70 -6.996 -2.651 12.868 505 2HD1 LEU 70 2HD1 LEU 70 -5.233 -2.575 12.843 506 3HD1 LEU 70 3HD1 LEU 70 -6.044 -4.011 13.466 507 1HD2 LEU 70 1HD2 LEU 70 -4.900 -5.616 11.385 508 2HD2 LEU 70 2HD2 LEU 70 -3.993 -4.134 11.689 509 3HD2 LEU 70 3HD2 LEU 70 -4.515 -4.528 10.051 510 H VAL 71 H VAL 71 -5.828 -4.745 7.926 511 HA VAL 71 HA VAL 71 -4.297 -7.224 8.372 512 HB VAL 71 HB VAL 71 -4.801 -5.918 5.697 513 1HG1 VAL 71 1HG1 VAL 71 -3.135 -8.235 6.580 514 2HG1 VAL 71 2HG1 VAL 71 -2.740 -6.933 5.458 515 3HG1 VAL 71 3HG1 VAL 71 -3.839 -8.222 4.963 516 1HG2 VAL 71 1HG2 VAL 71 -6.824 -6.926 6.121 517 2HG2 VAL 71 2HG2 VAL 71 -6.105 -8.201 7.103 518 3HG2 VAL 71 3HG2 VAL 71 -5.945 -8.245 5.347 519 H GLU 72 H GLU 72 -2.041 -7.107 7.908 520 HA GLU 72 HA GLU 72 -0.979 -4.358 7.916 521 1HB GLU 72 2HB GLU 72 0.234 -6.786 9.244 522 2HB GLU 72 1HB GLU 72 0.844 -5.137 9.320 523 1HG GLU 72 2HG GLU 72 -1.200 -4.453 10.495 524 2HG GLU 72 1HG GLU 72 -1.766 -6.121 10.451 525 H ILE 73 H ILE 73 0.731 -3.877 6.612 526 HA ILE 73 HA ILE 73 1.958 -6.031 5.048 527 HB ILE 73 HB ILE 73 0.826 -3.506 3.829 528 1HG1 ILE 73 2HG1 ILE 73 0.018 -6.407 3.524 529 2HG1 ILE 73 1HG1 ILE 73 -0.912 -5.148 4.333 530 1HG2 ILE 73 1HG2 ILE 73 1.594 -4.376 1.701 531 2HG2 ILE 73 2HG2 ILE 73 2.256 -5.804 2.497 532 3HG2 ILE 73 3HG2 ILE 73 2.953 -4.214 2.813 533 1HD1 ILE 73 1HD1 ILE 73 -1.380 -4.054 2.297 534 2HD1 ILE 73 2HD1 ILE 73 -1.645 -5.773 1.998 535 3HD1 ILE 73 3HD1 ILE 73 -0.170 -4.995 1.426 536 H ASP 74 H ASP 74 4.109 -5.850 5.107 537 HA ASP 74 HA ASP 74 5.274 -3.382 6.107 538 1HB ASP 74 2HB ASP 74 6.541 -6.067 5.523 539 2HB ASP 74 1HB ASP 74 7.360 -4.700 6.273 540 H GLY 75 H GLY 75 5.378 -1.899 4.520 541 1HA GLY 75 2HA GLY 75 5.934 -2.349 1.818 542 2HA GLY 75 1HA GLY 75 6.122 -0.819 2.646 543 H ARG 76 H ARG 76 8.068 -2.564 4.459 544 HA ARG 76 HA ARG 76 10.368 -1.849 2.870 545 1HB ARG 76 2HB ARG 76 11.654 -2.114 4.936 546 2HB ARG 76 1HB ARG 76 10.302 -1.013 5.145 547 1HG ARG 76 2HG ARG 76 9.014 -2.821 6.199 548 2HG ARG 76 1HG ARG 76 10.406 -3.889 6.029 549 1HD ARG 76 2HD ARG 76 11.734 -2.398 7.435 550 2HD ARG 76 1HD ARG 76 10.352 -1.315 7.599 551 HE ARG 76 HE ARG 76 10.849 -3.654 9.106 552 1HH1 ARG 76 1HH1 ARG 76 8.253 -1.829 7.650 553 2HH1 ARG 76 2HH1 ARG 76 7.047 -2.451 8.724 554 1HH2 ARG 76 1HH2 ARG 76 9.262 -4.469 10.522 555 2HH2 ARG 76 2HH2 ARG 76 7.619 -3.946 10.356 556 H ALA 77 H ALA 77 9.201 -4.648 4.662 557 HA ALA 77 HA ALA 77 11.193 -6.296 3.339 558 1HB ALA 77 1HB ALA 77 11.391 -6.748 5.566 559 2HB ALA 77 2HB ALA 77 10.274 -8.020 5.072 560 3HB ALA 77 3HB ALA 77 9.662 -6.568 5.864 561 H LEU 78 H LEU 78 7.796 -5.738 3.315 562 HA LEU 78 HA LEU 78 7.095 -8.319 2.283 563 1HB LEU 78 2HB LEU 78 5.551 -6.848 3.597 564 2HB LEU 78 1HB LEU 78 5.451 -5.799 2.198 565 HG LEU 78 HG LEU 78 3.515 -7.346 2.462 566 1HD1 LEU 78 1HD1 LEU 78 3.196 -7.300 0.254 567 2HD1 LEU 78 2HD1 LEU 78 4.624 -8.284 -0.066 568 3HD1 LEU 78 3HD1 LEU 78 4.787 -6.545 0.173 569 1HD2 LEU 78 1HD2 LEU 78 3.702 -9.584 2.538 570 2HD2 LEU 78 2HD2 LEU 78 5.345 -9.236 3.078 571 3HD2 LEU 78 3HD2 LEU 78 5.036 -9.619 1.385 572 H VAL 79 H VAL 79 7.996 -5.270 0.886 573 HA VAL 79 HA VAL 79 6.965 -5.532 -1.678 574 HB VAL 79 HB VAL 79 9.636 -4.334 -0.922 575 1HG1 VAL 79 1HG1 VAL 79 9.414 -3.023 -2.968 576 2HG1 VAL 79 2HG1 VAL 79 7.911 -3.862 -3.353 577 3HG1 VAL 79 3HG1 VAL 79 9.435 -4.750 -3.326 578 1HG2 VAL 79 1HG2 VAL 79 6.990 -2.936 -1.267 579 2HG2 VAL 79 2HG2 VAL 79 8.503 -2.250 -0.678 580 3HG2 VAL 79 3HG2 VAL 79 7.637 -3.438 0.296 581 H ALA 80 H ALA 80 7.049 -7.477 -2.657 582 HA ALA 80 HA ALA 80 9.688 -8.726 -3.037 583 1HB ALA 80 1HB ALA 80 8.721 -10.796 -3.016 584 2HB ALA 80 2HB ALA 80 7.176 -10.204 -3.628 585 3HB ALA 80 3HB ALA 80 7.617 -9.936 -1.942 586 H ARG 81 H ARG 81 10.546 -8.145 -4.936 587 HA ARG 81 HA ARG 81 8.766 -8.032 -7.279 588 1HB ARG 81 2HB ARG 81 10.414 -6.446 -8.264 589 2HB ARG 81 1HB ARG 81 9.610 -5.834 -6.827 590 1HG ARG 81 2HG ARG 81 11.582 -6.382 -5.488 591 2HG ARG 81 1HG ARG 81 12.390 -6.989 -6.933 592 1HD ARG 81 2HD ARG 81 12.215 -4.764 -7.955 593 2HD ARG 81 1HD ARG 81 11.432 -4.161 -6.493 594 HE ARG 81 HE ARG 81 13.877 -5.302 -5.767 595 1HH1 ARG 81 1HH1 ARG 81 12.674 -2.578 -7.586 596 2HH1 ARG 81 2HH1 ARG 81 14.060 -1.592 -7.264 597 1HH2 ARG 81 1HH2 ARG 81 15.702 -4.008 -5.343 598 2HH2 ARG 81 2HH2 ARG 81 15.780 -2.403 -5.992 599 HA PRO 82 HA PRO 82 11.600 -11.462 -8.297 600 1HB PRO 82 2HB PRO 82 9.840 -12.927 -9.703 601 2HB PRO 82 1HB PRO 82 9.802 -12.881 -7.939 602 1HG PRO 82 2HG PRO 82 8.118 -11.365 -9.899 603 2HG PRO 82 1HG PRO 82 7.619 -12.234 -8.435 604 1HD PRO 82 2HD PRO 82 7.999 -9.536 -8.514 605 2HD PRO 82 1HD PRO 82 8.229 -10.506 -7.050 606 H GLU 83 H GLU 83 10.201 -12.292 -11.114 607 HA GLU 83 HA GLU 83 11.776 -10.328 -12.622 608 1HB GLU 83 2HB GLU 83 11.049 -13.164 -13.355 609 2HB GLU 83 1HB GLU 83 11.976 -12.063 -14.366 610 1HG GLU 83 2HG GLU 83 13.726 -11.972 -12.667 611 2HG GLU 83 1HG GLU 83 12.795 -13.072 -11.649 612 H GLU 84 H GLU 84 8.642 -11.740 -12.274 613 HA GLU 84 HA GLU 84 7.675 -10.683 -14.798 614 1HB GLU 84 2HB GLU 84 6.833 -12.839 -14.001 615 2HB GLU 84 1HB GLU 84 6.208 -12.069 -12.548 616 1HG GLU 84 2HG GLU 84 4.671 -10.746 -13.906 617 2HG GLU 84 1HG GLU 84 5.298 -11.517 -15.363 618 H ARG 85 H ARG 85 7.011 -10.151 -11.347 619 HA ARG 85 HA ARG 85 6.787 -7.359 -11.590 620 1HB ARG 85 2HB ARG 85 4.694 -7.957 -12.780 621 2HB ARG 85 1HB ARG 85 4.139 -8.799 -11.342 622 1HG ARG 85 2HG ARG 85 4.228 -6.667 -10.101 623 2HG ARG 85 1HG ARG 85 4.685 -5.851 -11.595 624 1HD ARG 85 2HD ARG 85 2.589 -6.573 -12.631 625 2HD ARG 85 1HD ARG 85 2.134 -7.395 -11.139 626 HE ARG 85 HE ARG 85 1.397 -5.394 -10.355 627 1HH1 ARG 85 1HH1 ARG 85 3.750 -4.762 -12.856 628 2HH1 ARG 85 2HH1 ARG 85 3.582 -3.043 -12.751 629 1HH2 ARG 85 1HH2 ARG 85 1.171 -3.134 -10.221 630 2HH2 ARG 85 2HH2 ARG 85 2.119 -2.118 -11.257 631 H ILE 86 H ILE 86 4.772 -9.639 -9.738 632 HA ILE 86 HA ILE 86 6.220 -8.799 -7.310 633 HB ILE 86 HB ILE 86 3.336 -9.682 -7.366 634 1HG1 ILE 86 2HG1 ILE 86 3.498 -7.591 -8.599 635 2HG1 ILE 86 1HG1 ILE 86 2.773 -7.292 -7.025 636 1HG2 ILE 86 1HG2 ILE 86 3.551 -8.312 -5.118 637 2HG2 ILE 86 2HG2 ILE 86 5.251 -8.751 -5.291 638 3HG2 ILE 86 3HG2 ILE 86 4.019 -10.010 -5.209 639 1HD1 ILE 86 1HD1 ILE 86 5.697 -6.884 -7.533 640 2HD1 ILE 86 2HD1 ILE 86 4.711 -6.265 -6.208 641 3HD1 ILE 86 3HD1 ILE 86 4.496 -5.629 -7.840 Start of MODEL 21 1 H ARG 9 H ARG 9 -13.690 -15.377 -4.463 2 HA ARG 9 HA ARG 9 -13.417 -14.712 -1.701 3 1HB ARG 9 2HB ARG 9 -11.585 -15.738 -2.969 4 2HB ARG 9 1HB ARG 9 -11.493 -14.319 -4.002 5 1HG ARG 9 2HG ARG 9 -10.847 -12.959 -2.079 6 2HG ARG 9 1HG ARG 9 -10.944 -14.382 -1.041 7 1HD ARG 9 2HD ARG 9 -8.637 -13.937 -1.672 8 2HD ARG 9 1HD ARG 9 -9.188 -15.462 -2.362 9 HE ARG 9 HE ARG 9 -8.759 -14.594 -4.417 10 1HH1 ARG 9 1HH1 ARG 9 -9.242 -11.932 -2.211 11 2HH1 ARG 9 2HH1 ARG 9 -8.946 -10.722 -3.412 12 1HH2 ARG 9 1HH2 ARG 9 -8.361 -13.002 -5.995 13 2HH2 ARG 9 2HH2 ARG 9 -8.443 -11.327 -5.558 14 H HIS 10 H HIS 10 -12.865 -12.698 -0.787 15 HA HIS 10 HA HIS 10 -14.329 -10.503 -1.781 16 1HB HIS 10 2HB HIS 10 -12.160 -10.571 0.327 17 2HB HIS 10 1HB HIS 10 -13.263 -9.228 0.049 18 HD1 HIS 10 1HD HIS 10 -15.954 -10.233 0.110 19 HD2 HIS 10 2HD HIS 10 -13.008 -12.042 2.415 20 HE1 HIS 10 1HE HIS 10 -17.183 -11.467 1.924 21 HE2 HIS 10 2HE HIS 10 -15.383 -12.626 3.254 22 H GLU 11 H GLU 11 -13.189 -8.257 -1.909 23 HA GLU 11 HA GLU 11 -10.922 -8.526 -3.775 24 1HB GLU 11 2HB GLU 11 -12.957 -7.750 -4.882 25 2HB GLU 11 1HB GLU 11 -13.111 -6.440 -3.720 26 1HG GLU 11 2HG GLU 11 -11.038 -5.459 -4.533 27 2HG GLU 11 1HG GLU 11 -10.854 -6.784 -5.682 28 H LEU 12 H LEU 12 -9.114 -7.353 -3.414 29 HA LEU 12 HA LEU 12 -8.845 -6.045 -0.866 30 1HB LEU 12 2HB LEU 12 -7.091 -7.494 -1.971 31 2HB LEU 12 1HB LEU 12 -6.816 -6.177 -3.094 32 HG LEU 12 HG LEU 12 -6.449 -5.961 -0.104 33 1HD1 LEU 12 1HD1 LEU 12 -4.003 -5.891 -0.753 34 2HD1 LEU 12 2HD1 LEU 12 -4.498 -6.540 -2.317 35 3HD1 LEU 12 3HD1 LEU 12 -4.792 -7.465 -0.844 36 1HD2 LEU 12 1HD2 LEU 12 -4.958 -4.000 -1.199 37 2HD2 LEU 12 2HD2 LEU 12 -6.616 -3.778 -0.643 38 3HD2 LEU 12 3HD2 LEU 12 -6.289 -4.064 -2.353 39 H ILE 13 H ILE 13 -9.125 -5.081 -4.224 40 HA ILE 13 HA ILE 13 -8.347 -2.379 -3.901 41 HB ILE 13 HB ILE 13 -10.232 -3.526 -5.966 42 1HG1 ILE 13 2HG1 ILE 13 -8.090 -4.715 -5.956 43 2HG1 ILE 13 1HG1 ILE 13 -8.234 -3.710 -7.395 44 1HG2 ILE 13 1HG2 ILE 13 -9.215 -1.572 -7.302 45 2HG2 ILE 13 2HG2 ILE 13 -8.761 -0.928 -5.724 46 3HG2 ILE 13 3HG2 ILE 13 -10.459 -1.214 -6.105 47 1HD1 ILE 13 1HD1 ILE 13 -5.997 -3.648 -6.364 48 2HD1 ILE 13 2HD1 ILE 13 -6.713 -2.937 -4.918 49 3HD1 ILE 13 3HD1 ILE 13 -6.766 -2.064 -6.449 50 H GLY 14 H GLY 14 -9.784 -0.492 -4.066 51 1HA GLY 14 2HA GLY 14 -11.699 0.714 -3.564 52 2HA GLY 14 1HA GLY 14 -12.558 -0.803 -3.339 53 H LEU 15 H LEU 15 -9.829 -1.074 -1.547 54 HA LEU 15 HA LEU 15 -11.253 -0.413 0.909 55 1HB LEU 15 2HB LEU 15 -8.626 -1.847 0.529 56 2HB LEU 15 1HB LEU 15 -9.542 -1.733 2.020 57 HG LEU 15 HG LEU 15 -10.486 -3.149 -0.472 58 1HD1 LEU 15 1HD1 LEU 15 -8.500 -4.148 0.731 59 2HD1 LEU 15 2HD1 LEU 15 -9.919 -5.185 0.569 60 3HD1 LEU 15 3HD1 LEU 15 -9.576 -4.392 2.107 61 1HD2 LEU 15 1HD2 LEU 15 -12.275 -2.234 0.962 62 2HD2 LEU 15 2HD2 LEU 15 -11.614 -3.143 2.320 63 3HD2 LEU 15 3HD2 LEU 15 -12.261 -3.998 0.920 64 H SER 16 H SER 16 -9.922 0.512 2.717 65 HA SER 16 HA SER 16 -8.478 2.839 1.716 66 1HB SER 16 2HB SER 16 -10.251 3.225 3.369 67 2HB SER 16 1HB SER 16 -9.431 2.162 4.511 68 HG SER 16 HG SER 16 -9.002 4.413 4.857 69 H VAL 17 H VAL 17 -6.464 3.509 2.722 70 HA VAL 17 HA VAL 17 -4.876 1.233 3.710 71 HB VAL 17 HB VAL 17 -3.868 3.419 1.894 72 1HG1 VAL 17 1HG1 VAL 17 -2.037 1.525 1.660 73 2HG1 VAL 17 2HG1 VAL 17 -2.608 1.117 3.278 74 3HG1 VAL 17 3HG1 VAL 17 -1.971 2.727 2.946 75 1HG2 VAL 17 1HG2 VAL 17 -3.682 1.463 0.248 76 2HG2 VAL 17 2HG2 VAL 17 -5.281 2.160 0.518 77 3HG2 VAL 17 3HG2 VAL 17 -4.835 0.643 1.302 78 H ARG 18 H ARG 18 -3.232 1.712 5.212 79 HA ARG 18 HA ARG 18 -3.194 4.452 6.267 80 1HB ARG 18 2HB ARG 18 -3.465 1.959 7.960 81 2HB ARG 18 1HB ARG 18 -3.309 3.601 8.566 82 1HG ARG 18 2HG ARG 18 -5.593 2.605 6.876 83 2HG ARG 18 1HG ARG 18 -5.619 2.748 8.635 84 1HD ARG 18 2HD ARG 18 -5.206 5.007 6.682 85 2HD ARG 18 1HD ARG 18 -6.693 4.664 7.563 86 HE ARG 18 HE ARG 18 -4.579 4.963 9.391 87 1HH1 ARG 18 1HH1 ARG 18 -6.532 6.854 7.203 88 2HH1 ARG 18 2HH1 ARG 18 -6.359 8.316 8.113 89 1HH2 ARG 18 1HH2 ARG 18 -4.352 6.885 10.592 90 2HH2 ARG 18 2HH2 ARG 18 -5.122 8.334 10.037 91 H ILE 19 H ILE 19 -1.148 5.120 6.146 92 HA ILE 19 HA ILE 19 1.035 3.193 6.282 93 HB ILE 19 HB ILE 19 1.008 6.140 5.609 94 1HG1 ILE 19 2HG1 ILE 19 1.616 5.347 3.351 95 2HG1 ILE 19 1HG1 ILE 19 1.501 3.683 3.913 96 1HG2 ILE 19 1HG2 ILE 19 3.105 5.574 6.708 97 2HG2 ILE 19 2HG2 ILE 19 3.364 5.875 4.990 98 3HG2 ILE 19 3HG2 ILE 19 3.336 4.221 5.600 99 1HD1 ILE 19 1HD1 ILE 19 -0.485 4.658 2.616 100 2HD1 ILE 19 2HD1 ILE 19 -0.841 5.552 4.096 101 3HD1 ILE 19 3HD1 ILE 19 -0.829 3.789 4.114 102 H ALA 20 H ALA 20 2.427 3.013 7.951 103 HA ALA 20 HA ALA 20 2.010 4.799 10.250 104 1HB ALA 20 1HB ALA 20 2.312 3.051 11.683 105 2HB ALA 20 2HB ALA 20 3.391 2.194 10.583 106 3HB ALA 20 3HB ALA 20 1.650 2.179 10.301 107 H ARG 21 H ARG 21 4.374 3.406 8.127 108 HA ARG 21 HA ARG 21 6.290 5.412 8.867 109 1HB ARG 21 2HB ARG 21 6.988 2.488 9.185 110 2HB ARG 21 1HB ARG 21 8.109 3.831 9.347 111 1HG ARG 21 2HG ARG 21 6.845 4.650 11.277 112 2HG ARG 21 1HG ARG 21 5.734 3.287 11.117 113 1HD ARG 21 2HD ARG 21 8.698 3.102 11.655 114 2HD ARG 21 1HD ARG 21 7.416 2.861 12.842 115 HE ARG 21 HE ARG 21 6.989 1.104 10.705 116 1HH1 ARG 21 1HH1 ARG 21 9.271 1.623 13.296 117 2HH1 ARG 21 2HH1 ARG 21 9.699 -0.051 13.422 118 1HH2 ARG 21 1HH2 ARG 21 7.553 -1.097 10.869 119 2HH2 ARG 21 2HH2 ARG 21 8.725 -1.594 12.043 120 H SER 22 H SER 22 7.640 5.922 7.192 121 HA SER 22 HA SER 22 7.747 4.101 4.902 122 1HB SER 22 2HB SER 22 7.017 7.031 4.693 123 2HB SER 22 1HB SER 22 7.277 5.934 3.337 124 HG SER 22 HG SER 22 5.102 5.982 3.696 125 H VAL 23 H VAL 23 9.397 4.774 3.290 126 HA VAL 23 HA VAL 23 11.888 5.168 4.513 127 HB VAL 23 HB VAL 23 11.668 3.991 2.392 128 1HG1 VAL 23 1HG1 VAL 23 11.194 5.130 0.315 129 2HG1 VAL 23 2HG1 VAL 23 11.046 6.672 1.158 130 3HG1 VAL 23 3HG1 VAL 23 9.867 5.392 1.447 131 1HG2 VAL 23 1HG2 VAL 23 13.362 5.837 1.165 132 2HG2 VAL 23 2HG2 VAL 23 13.831 4.503 2.219 133 3HG2 VAL 23 3HG2 VAL 23 13.569 6.110 2.895 134 H HIS 24 H HIS 24 9.869 7.399 2.618 135 HA HIS 24 HA HIS 24 11.654 9.596 3.405 136 1HB HIS 24 2HB HIS 24 9.574 9.460 1.213 137 2HB HIS 24 1HB HIS 24 10.546 10.878 1.593 138 HD1 HIS 24 1HD HIS 24 10.983 10.166 -1.143 139 HD2 HIS 24 2HD HIS 24 12.968 8.104 1.869 140 HE1 HIS 24 1HE HIS 24 12.979 9.114 -2.253 141 HE2 HIS 24 2HE HIS 24 14.127 7.814 -0.426 142 H ARG 25 H ARG 25 10.944 11.281 4.604 143 HA ARG 25 HA ARG 25 8.581 10.947 6.142 144 1HB ARG 25 2HB ARG 25 10.542 13.225 5.900 145 2HB ARG 25 1HB ARG 25 9.162 13.271 6.986 146 1HG ARG 25 2HG ARG 25 11.159 12.633 8.184 147 2HG ARG 25 1HG ARG 25 10.015 11.290 8.148 148 1HD ARG 25 2HD ARG 25 12.319 10.554 7.744 149 2HD ARG 25 1HD ARG 25 11.275 10.234 6.364 150 HE ARG 25 HE ARG 25 12.514 12.717 5.988 151 1HH1 ARG 25 1HH1 ARG 25 13.341 9.329 6.114 152 2HH1 ARG 25 2HH1 ARG 25 14.697 9.491 5.049 153 1HH2 ARG 25 1HH2 ARG 25 14.297 12.932 4.585 154 2HH2 ARG 25 2HH2 ARG 25 15.240 11.537 4.182 155 H ASP 26 H ASP 26 9.218 12.448 3.129 156 HA ASP 26 HA ASP 26 7.223 14.433 3.141 157 1HB ASP 26 2HB ASP 26 7.410 14.333 0.660 158 2HB ASP 26 1HB ASP 26 8.966 14.482 1.471 159 H ILE 27 H ILE 27 7.005 11.034 2.980 160 HA ILE 27 HA ILE 27 4.156 11.253 2.429 161 HB ILE 27 HB ILE 27 4.276 9.059 1.199 162 1HG1 ILE 27 2HG1 ILE 27 6.505 8.590 0.104 163 2HG1 ILE 27 1HG1 ILE 27 7.226 9.737 1.232 164 1HG2 ILE 27 1HG2 ILE 27 5.610 11.472 -0.021 165 2HG2 ILE 27 2HG2 ILE 27 3.883 11.124 0.025 166 3HG2 ILE 27 3HG2 ILE 27 4.959 10.108 -0.932 167 1HD1 ILE 27 1HD1 ILE 27 5.646 7.374 2.185 168 2HD1 ILE 27 2HD1 ILE 27 6.816 8.353 3.070 169 3HD1 ILE 27 3HD1 ILE 27 7.365 7.257 1.802 170 H GLN 28 H GLN 28 6.111 10.706 4.780 171 HA GLN 28 HA GLN 28 5.302 8.091 5.659 172 1HB GLN 28 2HB GLN 28 7.535 8.859 6.210 173 2HB GLN 28 1HB GLN 28 6.882 10.273 7.024 174 1HG GLN 28 2HG GLN 28 5.836 8.812 8.695 175 2HG GLN 28 1HG GLN 28 6.538 7.411 7.889 176 1HE2 GLN 28 1HE2 GLN 28 8.243 6.664 8.908 177 2HE2 GLN 28 2HE2 GLN 28 9.426 7.600 9.749 178 H GLY 29 H GLY 29 3.968 7.621 7.415 179 1HA GLY 29 2HA GLY 29 2.176 7.888 8.822 180 2HA GLY 29 1HA GLY 29 2.758 9.523 9.094 181 H ILE 30 H ILE 30 2.087 8.761 5.828 182 HA ILE 30 HA ILE 30 -0.328 10.382 5.967 183 HB ILE 30 HB ILE 30 1.380 9.726 3.568 184 1HG1 ILE 30 2HG1 ILE 30 2.546 11.185 5.147 185 2HG1 ILE 30 1HG1 ILE 30 2.088 12.083 3.703 186 1HG2 ILE 30 1HG2 ILE 30 -0.879 10.109 2.873 187 2HG2 ILE 30 2HG2 ILE 30 0.067 11.547 2.484 188 3HG2 ILE 30 3HG2 ILE 30 -1.001 11.545 3.889 189 1HD1 ILE 30 1HD1 ILE 30 0.639 12.139 6.347 190 2HD1 ILE 30 2HD1 ILE 30 0.180 13.039 4.901 191 3HD1 ILE 30 3HD1 ILE 30 1.703 13.398 5.716 192 H SER 31 H SER 31 -2.210 9.354 5.872 193 HA SER 31 HA SER 31 -2.332 6.649 4.783 194 1HB SER 31 2HB SER 31 -4.610 6.618 5.775 195 2HB SER 31 1HB SER 31 -3.364 7.007 6.963 196 HG SER 31 HG SER 31 -4.199 8.928 7.203 197 H GLY 32 H GLY 32 -4.432 6.129 3.527 198 1HA GLY 32 2HA GLY 32 -5.737 8.156 2.063 199 2HA GLY 32 1HA GLY 32 -4.379 7.570 1.118 200 H ARG 33 H ARG 33 -6.286 7.123 -0.313 201 HA ARG 33 HA ARG 33 -7.632 4.624 0.367 202 1HB ARG 33 2HB ARG 33 -8.838 6.752 -0.454 203 2HB ARG 33 1HB ARG 33 -8.284 6.274 -2.044 204 1HG ARG 33 2HG ARG 33 -10.549 5.500 -1.662 205 2HG ARG 33 1HG ARG 33 -9.462 4.124 -1.787 206 1HD ARG 33 2HD ARG 33 -11.051 3.829 0.034 207 2HD ARG 33 1HD ARG 33 -9.405 3.948 0.645 208 HE ARG 33 HE ARG 33 -10.062 5.769 1.835 209 1HH1 ARG 33 1HH1 ARG 33 -12.260 5.388 -0.851 210 2HH1 ARG 33 2HH1 ARG 33 -13.240 6.743 -0.400 211 1HH2 ARG 33 1HH2 ARG 33 -11.354 7.544 2.431 212 2HH2 ARG 33 2HH2 ARG 33 -12.728 7.965 1.464 213 H VAL 34 H VAL 34 -7.969 3.145 -1.663 214 HA VAL 34 HA VAL 34 -5.266 2.617 -2.670 215 HB VAL 34 HB VAL 34 -6.389 0.870 -1.288 216 1HG1 VAL 34 1HG1 VAL 34 -8.180 -0.421 -2.148 217 2HG1 VAL 34 2HG1 VAL 34 -8.113 0.401 -3.706 218 3HG1 VAL 34 3HG1 VAL 34 -8.663 1.269 -2.273 219 1HG2 VAL 34 1HG2 VAL 34 -5.663 -0.979 -2.656 220 2HG2 VAL 34 2HG2 VAL 34 -4.557 0.377 -2.879 221 3HG2 VAL 34 3HG2 VAL 34 -5.764 0.011 -4.111 222 H VAL 35 H VAL 35 -4.863 1.820 -4.789 223 HA VAL 35 HA VAL 35 -7.039 2.059 -6.711 224 HB VAL 35 HB VAL 35 -5.607 4.214 -6.731 225 1HG1 VAL 35 1HG1 VAL 35 -3.655 4.165 -8.120 226 2HG1 VAL 35 2HG1 VAL 35 -3.783 2.413 -8.277 227 3HG1 VAL 35 3HG1 VAL 35 -3.448 3.138 -6.711 228 1HG2 VAL 35 1HG2 VAL 35 -7.277 3.318 -8.459 229 2HG2 VAL 35 2HG2 VAL 35 -5.852 2.849 -9.387 230 3HG2 VAL 35 3HG2 VAL 35 -6.123 4.544 -8.986 231 H ASP 36 H ASP 36 -3.612 1.221 -6.229 232 HA ASP 36 HA ASP 36 -4.050 -1.413 -7.244 233 1HB ASP 36 2HB ASP 36 -2.549 -1.357 -9.123 234 2HB ASP 36 1HB ASP 36 -3.741 -0.083 -9.348 235 H GLU 37 H GLU 37 -1.942 -2.690 -7.201 236 HA GLU 37 HA GLU 37 -0.100 -1.576 -5.192 237 1HB GLU 37 2HB GLU 37 -1.196 -4.394 -5.244 238 2HB GLU 37 1HB GLU 37 0.022 -3.794 -4.126 239 1HG GLU 37 2HG GLU 37 -1.591 -2.218 -3.203 240 2HG GLU 37 1HG GLU 37 -2.812 -2.804 -4.331 241 H THR 38 H THR 38 2.023 -1.811 -5.640 242 HA THR 38 HA THR 38 2.747 -3.654 -7.823 243 HB THR 38 HB THR 38 4.068 -1.015 -7.170 244 HG1 THR 38 1HG THR 38 3.072 -0.329 -9.119 245 1HG2 THR 38 1HG2 THR 38 5.304 -1.239 -9.160 246 2HG2 THR 38 2HG2 THR 38 4.376 -2.650 -9.664 247 3HG2 THR 38 3HG2 THR 38 5.482 -2.765 -8.297 248 H ARG 39 H ARG 39 4.668 -4.802 -7.602 249 HA ARG 39 HA ARG 39 5.347 -5.665 -5.059 250 1HB ARG 39 2HB ARG 39 7.020 -5.790 -7.567 251 2HB ARG 39 1HB ARG 39 7.294 -6.742 -6.114 252 1HG ARG 39 2HG ARG 39 4.874 -6.865 -7.896 253 2HG ARG 39 1HG ARG 39 6.165 -8.060 -7.792 254 1HD ARG 39 2HD ARG 39 5.583 -8.498 -5.463 255 2HD ARG 39 1HD ARG 39 4.309 -7.283 -5.546 256 HE ARG 39 HE ARG 39 4.129 -9.973 -6.396 257 1HH1 ARG 39 1HH1 ARG 39 3.081 -6.753 -7.247 258 2HH1 ARG 39 2HH1 ARG 39 1.692 -7.303 -8.121 259 1HH2 ARG 39 1HH2 ARG 39 2.298 -10.695 -7.541 260 2HH2 ARG 39 2HH2 ARG 39 1.245 -9.538 -8.285 261 H ASN 40 H ASN 40 6.293 -2.739 -6.541 262 HA ASN 40 HA ASN 40 8.270 -2.380 -4.414 263 1HB ASN 40 2HB ASN 40 9.787 -1.195 -5.926 264 2HB ASN 40 1HB ASN 40 9.545 -2.864 -6.413 265 1HD2 ASN 40 1HD2 ASN 40 6.775 -1.214 -7.267 266 2HD2 ASN 40 2HD2 ASN 40 7.196 -0.823 -8.887 267 H THR 41 H THR 41 5.415 -1.270 -5.527 268 HA THR 41 HA THR 41 5.783 1.234 -4.156 269 HB THR 41 HB THR 41 6.582 1.805 -6.422 270 HG1 THR 41 1HG THR 41 5.703 3.674 -6.127 271 1HG2 THR 41 1HG2 THR 41 3.809 1.023 -7.265 272 2HG2 THR 41 2HG2 THR 41 5.339 0.363 -7.846 273 3HG2 THR 41 3HG2 THR 41 4.891 2.025 -8.230 274 H LEU 42 H LEU 42 3.787 2.430 -3.878 275 HA LEU 42 HA LEU 42 1.419 0.690 -4.069 276 1HB LEU 42 2HB LEU 42 2.326 2.605 -1.960 277 2HB LEU 42 1HB LEU 42 0.609 2.347 -2.193 278 HG LEU 42 HG LEU 42 2.663 0.299 -1.381 279 1HD1 LEU 42 1HD1 LEU 42 2.123 1.317 0.581 280 2HD1 LEU 42 2HD1 LEU 42 0.775 0.185 0.489 281 3HD1 LEU 42 3HD1 LEU 42 0.552 1.860 -0.007 282 1HD2 LEU 42 1HD2 LEU 42 1.183 -0.846 -2.850 283 2HD2 LEU 42 2HD2 LEU 42 -0.227 -0.040 -2.160 284 3HD2 LEU 42 3HD2 LEU 42 0.665 -1.227 -1.208 285 H ARG 43 H ARG 43 -0.515 1.579 -4.764 286 HA ARG 43 HA ARG 43 -0.350 4.345 -5.738 287 1HB ARG 43 2HB ARG 43 -0.242 2.338 -7.440 288 2HB ARG 43 1HB ARG 43 -1.976 2.292 -7.186 289 1HG ARG 43 2HG ARG 43 -1.792 3.664 -9.030 290 2HG ARG 43 1HG ARG 43 -1.846 4.839 -7.714 291 1HD ARG 43 2HD ARG 43 0.604 4.952 -7.729 292 2HD ARG 43 1HD ARG 43 0.640 3.796 -9.062 293 HE ARG 43 HE ARG 43 -0.973 5.960 -9.806 294 1HH1 ARG 43 1HH1 ARG 43 2.380 5.260 -9.136 295 2HH1 ARG 43 2HH1 ARG 43 2.978 6.494 -10.194 296 1HH2 ARG 43 1HH2 ARG 43 -0.189 7.581 -11.198 297 2HH2 ARG 43 2HH2 ARG 43 1.519 7.812 -11.364 298 H ILE 44 H ILE 44 -1.829 5.574 -4.834 299 HA ILE 44 HA ILE 44 -4.053 4.344 -3.385 300 HB ILE 44 HB ILE 44 -2.629 6.980 -3.133 301 1HG1 ILE 44 2HG1 ILE 44 -3.044 4.675 -1.225 302 2HG1 ILE 44 1HG1 ILE 44 -1.562 5.046 -2.100 303 1HG2 ILE 44 1HG2 ILE 44 -4.330 7.995 -2.175 304 2HG2 ILE 44 2HG2 ILE 44 -4.504 6.679 -1.018 305 3HG2 ILE 44 3HG2 ILE 44 -5.361 6.617 -2.555 306 1HD1 ILE 44 1HD1 ILE 44 -2.750 6.368 0.271 307 2HD1 ILE 44 2HD1 ILE 44 -1.814 7.352 -0.853 308 3HD1 ILE 44 3HD1 ILE 44 -1.072 5.954 -0.076 309 H GLU 45 H GLU 45 -6.104 4.513 -4.066 310 HA GLU 45 HA GLU 45 -6.846 6.922 -5.539 311 1HB GLU 45 2HB GLU 45 -6.799 5.370 -7.312 312 2HB GLU 45 1HB GLU 45 -7.553 4.104 -6.352 313 1HG GLU 45 2HG GLU 45 -9.642 5.377 -6.346 314 2HG GLU 45 1HG GLU 45 -8.871 6.636 -7.310 315 H MET 46 H MET 46 -8.703 7.776 -5.019 316 HA MET 46 HA MET 46 -10.184 6.640 -2.762 317 1HB MET 46 2HB MET 46 -9.681 9.466 -3.657 318 2HB MET 46 1HB MET 46 -10.920 9.071 -2.477 319 1HG MET 46 2HG MET 46 -9.382 8.430 -0.879 320 2HG MET 46 1HG MET 46 -8.106 8.161 -2.064 321 1HE MET 46 1HE MET 46 -6.919 9.641 -3.238 322 2HE MET 46 2HE MET 46 -6.079 10.840 -2.254 323 3HE MET 46 3HE MET 46 -7.287 11.356 -3.427 324 H ASP 47 H ASP 47 -12.292 6.189 -2.947 325 HA ASP 47 HA ASP 47 -13.593 5.819 -5.308 326 1HB ASP 47 2HB ASP 47 -14.388 4.926 -3.167 327 2HB ASP 47 1HB ASP 47 -14.876 6.542 -2.669 328 H ASP 48 H ASP 48 -13.235 8.798 -3.586 329 HA ASP 48 HA ASP 48 -15.313 10.275 -4.768 330 1HB ASP 48 2HB ASP 48 -12.631 11.236 -3.753 331 2HB ASP 48 1HB ASP 48 -14.015 12.268 -4.102 332 H GLY 49 H GLY 49 -12.514 8.977 -6.157 333 1HA GLY 49 2HA GLY 49 -12.209 9.009 -8.519 334 2HA GLY 49 1HA GLY 49 -12.943 10.605 -8.561 335 H ARG 50 H ARG 50 -10.613 9.881 -6.117 336 HA ARG 50 HA ARG 50 -8.714 11.688 -7.455 337 1HB ARG 50 2HB ARG 50 -8.888 10.923 -4.538 338 2HB ARG 50 1HB ARG 50 -7.761 12.079 -5.233 339 1HG ARG 50 2HG ARG 50 -9.621 13.519 -5.870 340 2HG ARG 50 1HG ARG 50 -10.761 12.355 -5.193 341 1HD ARG 50 2HD ARG 50 -10.373 14.170 -3.626 342 2HD ARG 50 1HD ARG 50 -9.744 12.653 -2.984 343 HE ARG 50 HE ARG 50 -7.691 13.627 -2.914 344 1HH1 ARG 50 1HH1 ARG 50 -9.612 15.343 -5.272 345 2HH1 ARG 50 2HH1 ARG 50 -8.364 16.484 -5.640 346 1HH2 ARG 50 1HH2 ARG 50 -6.054 15.132 -3.394 347 2HH2 ARG 50 2HH2 ARG 50 -6.345 16.368 -4.573 348 H GLU 51 H GLU 51 -6.382 11.220 -7.147 349 HA GLU 51 HA GLU 51 -5.705 8.466 -6.548 350 1HB GLU 51 2HB GLU 51 -5.269 9.638 -9.298 351 2HB GLU 51 1HB GLU 51 -4.596 8.113 -8.739 352 1HG GLU 51 2HG GLU 51 -6.856 7.227 -8.443 353 2HG GLU 51 1HG GLU 51 -7.525 8.756 -9.011 354 H ILE 52 H ILE 52 -3.612 8.177 -5.962 355 HA ILE 52 HA ILE 52 -1.553 10.119 -6.490 356 HB ILE 52 HB ILE 52 -2.707 11.195 -4.613 357 1HG1 ILE 52 2HG1 ILE 52 -0.761 11.423 -3.107 358 2HG1 ILE 52 1HG1 ILE 52 -0.032 10.000 -3.849 359 1HG2 ILE 52 1HG2 ILE 52 -1.906 9.081 -2.704 360 2HG2 ILE 52 2HG2 ILE 52 -3.318 8.764 -3.712 361 3HG2 ILE 52 3HG2 ILE 52 -3.280 10.184 -2.666 362 1HD1 ILE 52 1HD1 ILE 52 -0.643 12.608 -5.244 363 2HD1 ILE 52 2HD1 ILE 52 0.068 11.182 -6.000 364 3HD1 ILE 52 3HD1 ILE 52 0.953 12.045 -4.739 365 H THR 53 H THR 53 0.505 9.244 -6.218 366 HA THR 53 HA THR 53 0.564 6.384 -5.618 367 HB THR 53 HB THR 53 1.507 7.085 -7.742 368 HG1 THR 53 1HG THR 53 3.562 6.315 -5.949 369 1HG2 THR 53 1HG2 THR 53 2.502 9.278 -6.386 370 2HG2 THR 53 2HG2 THR 53 2.833 8.824 -8.058 371 3HG2 THR 53 3HG2 THR 53 3.926 8.312 -6.772 372 H VAL 54 H VAL 54 2.220 5.437 -4.301 373 HA VAL 54 HA VAL 54 3.682 7.204 -2.494 374 HB VAL 54 HB VAL 54 1.805 5.068 -1.462 375 1HG1 VAL 54 1HG1 VAL 54 3.449 7.057 0.099 376 2HG1 VAL 54 2HG1 VAL 54 3.921 5.380 -0.174 377 3HG1 VAL 54 3HG1 VAL 54 2.459 5.747 0.742 378 1HG2 VAL 54 1HG2 VAL 54 0.528 6.973 -2.187 379 2HG2 VAL 54 2HG2 VAL 54 1.624 8.078 -1.359 380 3HG2 VAL 54 3HG2 VAL 54 0.603 6.986 -0.425 381 HA PRO 55 HA PRO 55 6.613 3.888 -3.067 382 1HB PRO 55 2HB PRO 55 8.571 4.757 -1.466 383 2HB PRO 55 1HB PRO 55 8.138 5.629 -2.942 384 1HG PRO 55 2HG PRO 55 7.385 6.218 -0.106 385 2HG PRO 55 1HG PRO 55 7.914 7.334 -1.377 386 1HD PRO 55 2HD PRO 55 5.289 6.932 -0.677 387 2HD PRO 55 1HD PRO 55 5.815 7.490 -2.276 388 H LYS 56 H LYS 56 6.171 1.917 -2.258 389 HA LYS 56 HA LYS 56 5.918 1.576 0.641 390 1HB LYS 56 2HB LYS 56 4.850 -0.534 0.184 391 2HB LYS 56 1HB LYS 56 4.090 0.726 -0.773 392 1HG LYS 56 2HG LYS 56 5.192 -0.011 -2.752 393 2HG LYS 56 1HG LYS 56 6.200 -1.132 -1.839 394 1HD LYS 56 2HD LYS 56 3.202 -1.298 -2.153 395 2HD LYS 56 1HD LYS 56 4.387 -2.298 -2.990 396 1HE LYS 56 2HE LYS 56 5.159 -3.159 -0.813 397 2HE LYS 56 1HE LYS 56 3.915 -2.201 -0.012 398 1HZ LYS 56 1HZ LYS 56 2.984 -3.947 -2.133 399 2HZ LYS 56 2HZ LYS 56 2.306 -3.627 -0.618 400 3HZ LYS 56 3HZ LYS 56 3.579 -4.732 -0.757 401 H GLY 57 H GLY 57 8.351 1.320 -1.594 402 1HA GLY 57 2HA GLY 57 9.519 -1.143 -1.300 403 2HA GLY 57 1HA GLY 57 10.441 0.345 -1.440 404 H ILE 58 H ILE 58 9.262 1.328 1.125 405 HA ILE 58 HA ILE 58 10.228 -0.509 3.108 406 HB ILE 58 HB ILE 58 11.518 2.211 2.927 407 1HG1 ILE 58 2HG1 ILE 58 13.637 0.776 2.538 408 2HG1 ILE 58 1HG1 ILE 58 12.517 -0.496 2.063 409 1HG2 ILE 58 1HG2 ILE 58 12.757 1.647 4.821 410 2HG2 ILE 58 2HG2 ILE 58 12.388 -0.071 4.665 411 3HG2 ILE 58 3HG2 ILE 58 11.134 1.056 5.180 412 1HD1 ILE 58 1HD1 ILE 58 13.489 1.728 0.555 413 2HD1 ILE 58 2HD1 ILE 58 11.730 1.789 0.653 414 3HD1 ILE 58 3HD1 ILE 58 12.527 0.349 0.023 415 H ALA 59 H ALA 59 7.736 -0.019 3.078 416 HA ALA 59 HA ALA 59 7.314 1.885 5.231 417 1HB ALA 59 1HB ALA 59 6.984 3.126 3.111 418 2HB ALA 59 2HB ALA 59 5.562 3.097 4.153 419 3HB ALA 59 3HB ALA 59 5.642 2.043 2.740 420 H VAL 60 H VAL 60 6.230 0.880 6.790 421 HA VAL 60 HA VAL 60 4.577 -1.425 6.224 422 HB VAL 60 HB VAL 60 5.944 -1.380 8.271 423 1HG1 VAL 60 1HG1 VAL 60 5.392 0.075 10.125 424 2HG1 VAL 60 2HG1 VAL 60 4.095 0.819 9.191 425 3HG1 VAL 60 3HG1 VAL 60 5.775 1.044 8.703 426 1HG2 VAL 60 1HG2 VAL 60 4.223 -2.147 9.823 427 2HG2 VAL 60 2HG2 VAL 60 3.917 -2.750 8.196 428 3HG2 VAL 60 3HG2 VAL 60 2.976 -1.398 8.824 429 H PHE 61 H PHE 61 2.363 -1.516 6.237 430 HA PHE 61 HA PHE 61 0.812 0.732 7.180 431 1HB PHE 61 2HB PHE 61 -0.322 1.013 4.940 432 2HB PHE 61 1HB PHE 61 1.333 1.610 5.029 433 HD1 PHE 61 1HD PHE 61 2.850 0.984 3.419 434 HD2 PHE 61 2HD PHE 61 -0.600 -1.420 4.061 435 HE1 PHE 61 1HE PHE 61 3.466 -0.407 1.490 436 HE2 PHE 61 2HE PHE 61 0.010 -2.818 2.131 437 HZ PHE 61 HZ PHE 61 2.047 -2.314 0.843 438 H HIS 62 H HIS 62 -1.568 0.357 6.789 439 HA HIS 62 HA HIS 62 -2.212 -2.505 6.649 440 1HB HIS 62 2HB HIS 62 -3.336 -0.630 8.738 441 2HB HIS 62 1HB HIS 62 -3.605 -2.366 8.614 442 HD1 HIS 62 1HD HIS 62 -1.001 -3.643 8.604 443 HD2 HIS 62 2HD HIS 62 -1.622 -0.141 10.747 444 HE1 HIS 62 1HE HIS 62 0.812 -3.593 10.344 445 HE2 HIS 62 2HE HIS 62 0.469 -1.421 11.573 446 H PHE 63 H PHE 63 -3.933 -2.933 5.397 447 HA PHE 63 HA PHE 63 -5.463 -0.678 4.341 448 1HB PHE 63 2HB PHE 63 -5.094 -3.533 3.469 449 2HB PHE 63 1HB PHE 63 -6.414 -2.561 2.832 450 HD1 PHE 63 1HD PHE 63 -2.938 -1.494 3.613 451 HD2 PHE 63 2HD PHE 63 -5.845 -2.283 0.605 452 HE1 PHE 63 1HE PHE 63 -1.429 -0.558 1.908 453 HE2 PHE 63 2HE PHE 63 -4.340 -1.350 -1.101 454 HZ PHE 63 HZ PHE 63 -2.128 -0.486 -0.450 455 H ARG 64 H ARG 64 -7.335 -0.158 5.252 456 HA ARG 64 HA ARG 64 -8.727 -2.118 6.907 457 1HB ARG 64 2HB ARG 64 -8.321 0.160 7.796 458 2HB ARG 64 1HB ARG 64 -9.286 0.827 6.491 459 1HG ARG 64 2HG ARG 64 -10.656 0.768 8.418 460 2HG ARG 64 1HG ARG 64 -11.217 -0.506 7.337 461 1HD ARG 64 2HD ARG 64 -11.208 -1.487 9.466 462 2HD ARG 64 1HD ARG 64 -9.742 -2.082 8.692 463 HE ARG 64 HE ARG 64 -9.925 -0.318 10.975 464 1HH1 ARG 64 1HH1 ARG 64 -7.856 -1.642 8.494 465 2HH1 ARG 64 2HH1 ARG 64 -6.396 -1.158 9.283 466 1HH2 ARG 64 1HH2 ARG 64 -8.008 0.308 12.013 467 2HH2 ARG 64 2HH2 ARG 64 -6.481 -0.056 11.281 468 H THR 65 H THR 65 -10.874 -2.722 6.596 469 HA THR 65 HA THR 65 -11.990 -2.080 3.946 470 HB THR 65 HB THR 65 -12.229 -4.682 5.460 471 HG1 THR 65 1HG THR 65 -10.251 -4.736 4.606 472 1HG2 THR 65 1HG2 THR 65 -12.839 -4.969 2.719 473 2HG2 THR 65 2HG2 THR 65 -13.816 -3.645 3.356 474 3HG2 THR 65 3HG2 THR 65 -13.884 -5.237 4.115 475 HA PRO 66 HA PRO 66 -15.357 -0.205 6.220 476 1HB PRO 66 2HB PRO 66 -16.812 -1.090 3.764 477 2HB PRO 66 1HB PRO 66 -16.837 0.477 4.581 478 1HG PRO 66 2HG PRO 66 -15.436 0.144 2.345 479 2HG PRO 66 1HG PRO 66 -14.804 1.131 3.676 480 1HD PRO 66 2HD PRO 66 -14.012 -1.602 2.800 481 2HD PRO 66 1HD PRO 66 -13.027 -0.317 3.527 482 H GLN 67 H GLN 67 -15.628 -3.344 4.620 483 HA GLN 67 HA GLN 67 -17.992 -4.206 5.874 484 1HB GLN 67 2HB GLN 67 -15.666 -5.841 4.849 485 2HB GLN 67 1HB GLN 67 -17.249 -6.485 5.265 486 1HG GLN 67 2HG GLN 67 -18.263 -5.116 3.512 487 2HG GLN 67 1HG GLN 67 -16.672 -4.483 3.091 488 1HE2 GLN 67 1HE2 GLN 67 -15.832 -5.397 1.373 489 2HE2 GLN 67 2HE2 GLN 67 -16.056 -7.034 0.867 490 H GLY 68 H GLY 68 -14.868 -3.715 7.133 491 1HA GLY 68 2HA GLY 68 -14.533 -3.728 9.504 492 2HA GLY 68 1HA GLY 68 -15.676 -5.056 9.619 493 H GLU 69 H GLU 69 -12.836 -4.610 7.519 494 HA GLU 69 HA GLU 69 -11.678 -7.018 8.774 495 1HB GLU 69 2HB GLU 69 -11.475 -6.266 5.854 496 2HB GLU 69 1HB GLU 69 -10.781 -7.690 6.611 497 1HG GLU 69 2HG GLU 69 -13.018 -8.514 7.128 498 2HG GLU 69 1HG GLU 69 -13.720 -7.082 6.378 499 H LEU 70 H LEU 70 -9.362 -7.157 8.762 500 HA LEU 70 HA LEU 70 -8.015 -4.559 8.435 501 1HB LEU 70 2HB LEU 70 -8.381 -4.936 10.794 502 2HB LEU 70 1HB LEU 70 -7.697 -6.545 10.681 503 HG LEU 70 HG LEU 70 -5.495 -5.575 10.161 504 1HD1 LEU 70 1HD1 LEU 70 -6.780 -2.907 10.729 505 2HD1 LEU 70 2HD1 LEU 70 -6.377 -3.495 9.115 506 3HD1 LEU 70 3HD1 LEU 70 -5.097 -3.213 10.297 507 1HD2 LEU 70 1HD2 LEU 70 -5.029 -4.688 12.382 508 2HD2 LEU 70 2HD2 LEU 70 -6.107 -6.081 12.481 509 3HD2 LEU 70 3HD2 LEU 70 -6.754 -4.452 12.664 510 H VAL 71 H VAL 71 -6.421 -4.658 7.005 511 HA VAL 71 HA VAL 71 -5.025 -7.233 6.634 512 HB VAL 71 HB VAL 71 -5.381 -5.047 4.578 513 1HG1 VAL 71 1HG1 VAL 71 -3.914 -6.123 3.298 514 2HG1 VAL 71 2HG1 VAL 71 -4.698 -7.675 3.586 515 3HG1 VAL 71 3HG1 VAL 71 -3.485 -7.076 4.718 516 1HG2 VAL 71 1HG2 VAL 71 -7.022 -7.394 5.279 517 2HG2 VAL 71 2HG2 VAL 71 -6.714 -7.150 3.560 518 3HG2 VAL 71 3HG2 VAL 71 -7.480 -5.876 4.508 519 H GLU 72 H GLU 72 -2.789 -7.233 6.605 520 HA GLU 72 HA GLU 72 -1.471 -4.634 7.021 521 1HB GLU 72 2HB GLU 72 -0.034 -5.659 8.733 522 2HB GLU 72 1HB GLU 72 -1.732 -5.692 9.194 523 1HG GLU 72 2HG GLU 72 -1.871 -8.035 8.520 524 2HG GLU 72 1HG GLU 72 -0.170 -8.003 8.055 525 H ILE 73 H ILE 73 0.374 -4.303 5.952 526 HA ILE 73 HA ILE 73 1.841 -6.573 4.829 527 HB ILE 73 HB ILE 73 1.093 -4.176 3.151 528 1HG1 ILE 73 2HG1 ILE 73 -0.210 -5.922 1.816 529 2HG1 ILE 73 1HG1 ILE 73 -0.062 -6.960 3.232 530 1HG2 ILE 73 1HG2 ILE 73 3.208 -5.081 2.504 531 2HG2 ILE 73 2HG2 ILE 73 2.010 -5.570 1.305 532 3HG2 ILE 73 3HG2 ILE 73 2.565 -6.723 2.520 533 1HD1 ILE 73 1HD1 ILE 73 -1.825 -5.981 4.147 534 2HD1 ILE 73 2HD1 ILE 73 -1.998 -4.974 2.709 535 3HD1 ILE 73 3HD1 ILE 73 -1.023 -4.412 4.068 536 H ASP 74 H ASP 74 3.980 -6.316 5.143 537 HA ASP 74 HA ASP 74 4.896 -3.792 6.238 538 1HB ASP 74 2HB ASP 74 5.540 -5.910 7.324 539 2HB ASP 74 1HB ASP 74 6.401 -6.384 5.863 540 H GLY 75 H GLY 75 5.187 -2.304 4.695 541 1HA GLY 75 2HA GLY 75 6.141 -2.721 2.099 542 2HA GLY 75 1HA GLY 75 6.174 -1.192 2.953 543 H ARG 76 H ARG 76 7.848 -2.912 5.028 544 HA ARG 76 HA ARG 76 10.347 -2.011 3.981 545 1HB ARG 76 2HB ARG 76 9.787 -1.693 6.343 546 2HB ARG 76 1HB ARG 76 9.729 -3.437 6.555 547 1HG ARG 76 2HG ARG 76 12.103 -3.590 6.012 548 2HG ARG 76 1HG ARG 76 12.164 -1.843 5.786 549 1HD ARG 76 2HD ARG 76 11.474 -1.541 8.134 550 2HD ARG 76 1HD ARG 76 11.491 -3.292 8.345 551 HE ARG 76 HE ARG 76 13.738 -3.152 8.646 552 1HH1 ARG 76 1HH1 ARG 76 12.723 -0.344 6.837 553 2HH1 ARG 76 2HH1 ARG 76 14.311 0.340 6.770 554 1HH2 ARG 76 1HH2 ARG 76 15.827 -2.247 8.565 555 2HH2 ARG 76 2HH2 ARG 76 16.072 -0.738 7.750 556 H ALA 77 H ALA 77 9.475 -5.124 5.401 557 HA ALA 77 HA ALA 77 11.494 -6.376 3.737 558 1HB ALA 77 1HB ALA 77 12.007 -7.064 5.827 559 2HB ALA 77 2HB ALA 77 10.891 -8.356 5.380 560 3HB ALA 77 3HB ALA 77 10.329 -7.007 6.370 561 H LEU 78 H LEU 78 8.111 -6.793 4.596 562 HA LEU 78 HA LEU 78 7.596 -9.148 3.246 563 1HB LEU 78 2HB LEU 78 5.925 -6.855 4.087 564 2HB LEU 78 1HB LEU 78 5.233 -7.949 2.909 565 HG LEU 78 HG LEU 78 4.588 -8.517 5.220 566 1HD1 LEU 78 1HD1 LEU 78 6.345 -10.550 3.853 567 2HD1 LEU 78 2HD1 LEU 78 4.630 -10.270 3.552 568 3HD1 LEU 78 3HD1 LEU 78 5.158 -10.906 5.110 569 1HD2 LEU 78 1HD2 LEU 78 6.192 -8.122 6.749 570 2HD2 LEU 78 2HD2 LEU 78 7.504 -8.423 5.610 571 3HD2 LEU 78 3HD2 LEU 78 6.679 -9.776 6.378 572 H VAL 79 H VAL 79 8.285 -6.074 1.883 573 HA VAL 79 HA VAL 79 6.921 -6.280 -0.557 574 HB VAL 79 HB VAL 79 9.606 -4.984 -0.064 575 1HG1 VAL 79 1HG1 VAL 79 9.630 -4.383 -2.205 576 2HG1 VAL 79 2HG1 VAL 79 8.001 -3.722 -2.082 577 3HG1 VAL 79 3HG1 VAL 79 8.234 -5.426 -2.478 578 1HG2 VAL 79 1HG2 VAL 79 8.300 -2.914 0.187 579 2HG2 VAL 79 2HG2 VAL 79 7.905 -4.108 1.425 580 3HG2 VAL 79 3HG2 VAL 79 6.813 -3.854 0.064 581 H ALA 80 H ALA 80 6.985 -8.175 -1.635 582 HA ALA 80 HA ALA 80 9.566 -9.464 -2.119 583 1HB ALA 80 1HB ALA 80 8.291 -11.378 -2.876 584 2HB ALA 80 2HB ALA 80 6.793 -10.454 -2.772 585 3HB ALA 80 3HB ALA 80 7.691 -10.842 -1.306 586 H ARG 81 H ARG 81 10.641 -8.767 -3.843 587 HA ARG 81 HA ARG 81 9.149 -7.862 -6.195 588 1HB ARG 81 2HB ARG 81 11.325 -6.909 -6.929 589 2HB ARG 81 1HB ARG 81 10.760 -6.266 -5.394 590 1HG ARG 81 2HG ARG 81 12.293 -7.796 -4.218 591 2HG ARG 81 1HG ARG 81 12.896 -8.351 -5.781 592 1HD ARG 81 2HD ARG 81 14.374 -6.660 -4.822 593 2HD ARG 81 1HD ARG 81 13.628 -6.080 -6.310 594 HE ARG 81 HE ARG 81 12.046 -5.263 -4.153 595 1HH1 ARG 81 1HH1 ARG 81 15.204 -4.649 -5.505 596 2HH1 ARG 81 2HH1 ARG 81 15.278 -3.023 -4.914 597 1HH2 ARG 81 1HH2 ARG 81 12.143 -3.125 -3.374 598 2HH2 ARG 81 2HH2 ARG 81 13.541 -2.158 -3.705 599 HA PRO 82 HA PRO 82 10.424 -11.886 -7.838 600 1HB PRO 82 2HB PRO 82 8.466 -12.139 -9.643 601 2HB PRO 82 1HB PRO 82 8.162 -12.370 -7.917 602 1HG PRO 82 2HG PRO 82 7.597 -9.987 -9.637 603 2HG PRO 82 1HG PRO 82 6.585 -10.727 -8.382 604 1HD PRO 82 2HD PRO 82 8.149 -8.498 -7.993 605 2HD PRO 82 1HD PRO 82 7.650 -9.605 -6.699 606 H GLU 83 H GLU 83 11.998 -9.783 -8.599 607 HA GLU 83 HA GLU 83 11.922 -9.837 -11.536 608 1HB GLU 83 2HB GLU 83 13.306 -7.809 -11.475 609 2HB GLU 83 1HB GLU 83 11.782 -7.581 -10.630 610 1HG GLU 83 2HG GLU 83 12.910 -7.897 -8.494 611 2HG GLU 83 1HG GLU 83 14.439 -8.144 -9.335 612 H GLU 84 H GLU 84 13.982 -10.166 -8.733 613 HA GLU 84 HA GLU 84 16.076 -11.359 -10.419 614 1HB GLU 84 2HB GLU 84 16.817 -9.450 -9.075 615 2HB GLU 84 1HB GLU 84 16.255 -10.250 -7.612 616 1HG GLU 84 2HG GLU 84 17.891 -12.028 -7.950 617 2HG GLU 84 1HG GLU 84 18.452 -11.231 -9.420 618 H ARG 85 H ARG 85 14.430 -11.775 -7.294 619 HA ARG 85 HA ARG 85 13.927 -14.499 -7.595 620 1HB ARG 85 2HB ARG 85 16.362 -14.766 -7.476 621 2HB ARG 85 1HB ARG 85 16.388 -13.913 -5.939 622 1HG ARG 85 2HG ARG 85 15.061 -15.692 -4.923 623 2HG ARG 85 1HG ARG 85 15.025 -16.545 -6.467 624 1HD ARG 85 2HD ARG 85 16.727 -17.472 -4.985 625 2HD ARG 85 1HD ARG 85 17.455 -16.750 -6.420 626 HE ARG 85 HE ARG 85 17.403 -14.823 -4.395 627 1HH1 ARG 85 1HH1 ARG 85 18.963 -17.861 -5.113 628 2HH1 ARG 85 2HH1 ARG 85 20.387 -17.488 -4.200 629 1HH2 ARG 85 1HH2 ARG 85 19.275 -14.331 -3.195 630 2HH2 ARG 85 2HH2 ARG 85 20.564 -15.485 -3.112 631 H ILE 86 H ILE 86 12.882 -15.417 -5.761 632 HA ILE 86 HA ILE 86 12.060 -13.394 -3.789 633 HB ILE 86 HB ILE 86 10.638 -15.930 -4.614 634 1HG1 ILE 86 2HG1 ILE 86 10.595 -14.244 -6.379 635 2HG1 ILE 86 1HG1 ILE 86 9.001 -14.394 -5.645 636 1HG2 ILE 86 1HG2 ILE 86 8.746 -14.570 -3.354 637 2HG2 ILE 86 2HG2 ILE 86 10.138 -13.916 -2.489 638 3HG2 ILE 86 3HG2 ILE 86 9.842 -15.654 -2.497 639 1HD1 ILE 86 1HD1 ILE 86 9.550 -12.074 -6.060 640 2HD1 ILE 86 2HD1 ILE 86 11.013 -12.228 -5.088 641 3HD1 ILE 86 3HD1 ILE 86 9.428 -12.380 -4.329 Start of MODEL 22 1 H ARG 9 H ARG 9 -14.377 -11.045 -1.617 2 HA ARG 9 HA ARG 9 -12.059 -9.967 -0.268 3 1HB ARG 9 2HB ARG 9 -12.417 -12.955 -0.563 4 2HB ARG 9 1HB ARG 9 -10.934 -12.158 -0.057 5 1HG ARG 9 2HG ARG 9 -12.079 -11.287 1.920 6 2HG ARG 9 1HG ARG 9 -13.560 -12.101 1.415 7 1HD ARG 9 2HD ARG 9 -12.387 -13.405 3.107 8 2HD ARG 9 1HD ARG 9 -12.433 -14.262 1.568 9 HE ARG 9 HE ARG 9 -10.162 -14.250 1.584 10 1HH1 ARG 9 1HH1 ARG 9 -11.260 -11.626 3.610 11 2HH1 ARG 9 2HH1 ARG 9 -9.661 -11.136 4.054 12 1HH2 ARG 9 1HH2 ARG 9 -8.059 -13.608 2.174 13 2HH2 ARG 9 2HH2 ARG 9 -7.844 -12.260 3.241 14 H HIS 10 H HIS 10 -13.410 -9.787 -2.900 15 HA HIS 10 HA HIS 10 -11.246 -10.800 -4.623 16 1HB HIS 10 2HB HIS 10 -14.095 -10.062 -5.322 17 2HB HIS 10 1HB HIS 10 -12.869 -10.529 -6.496 18 HD1 HIS 10 1HD HIS 10 -14.226 -12.065 -3.276 19 HD2 HIS 10 2HD HIS 10 -13.154 -13.125 -7.147 20 HE1 HIS 10 1HE HIS 10 -14.676 -14.533 -3.445 21 HE2 HIS 10 2HE HIS 10 -13.953 -15.166 -5.774 22 H GLU 11 H GLU 11 -10.173 -9.432 -5.994 23 HA GLU 11 HA GLU 11 -9.296 -7.487 -6.782 24 1HB GLU 11 2HB GLU 11 -12.081 -6.422 -6.272 25 2HB GLU 11 1HB GLU 11 -10.840 -5.613 -7.220 26 1HG GLU 11 2HG GLU 11 -10.848 -7.464 -8.812 27 2HG GLU 11 1HG GLU 11 -12.094 -8.273 -7.863 28 H LEU 12 H LEU 12 -7.846 -6.347 -5.701 29 HA LEU 12 HA LEU 12 -8.305 -5.607 -2.947 30 1HB LEU 12 2HB LEU 12 -6.145 -6.516 -3.644 31 2HB LEU 12 1HB LEU 12 -5.921 -5.173 -4.748 32 HG LEU 12 HG LEU 12 -5.859 -3.622 -2.826 33 1HD1 LEU 12 1HD1 LEU 12 -7.018 -5.734 -1.441 34 2HD1 LEU 12 2HD1 LEU 12 -6.445 -4.210 -0.765 35 3HD1 LEU 12 3HD1 LEU 12 -5.383 -5.617 -0.791 36 1HD2 LEU 12 1HD2 LEU 12 -3.858 -5.062 -3.807 37 2HD2 LEU 12 2HD2 LEU 12 -3.842 -5.694 -2.159 38 3HD2 LEU 12 3HD2 LEU 12 -3.641 -3.965 -2.442 39 H ILE 13 H ILE 13 -8.365 -4.071 -6.050 40 HA ILE 13 HA ILE 13 -7.979 -1.395 -5.225 41 HB ILE 13 HB ILE 13 -9.544 -2.400 -7.607 42 1HG1 ILE 13 2HG1 ILE 13 -7.272 -3.297 -7.600 43 2HG1 ILE 13 1HG1 ILE 13 -7.442 -2.075 -8.856 44 1HG2 ILE 13 1HG2 ILE 13 -9.374 0.169 -6.625 45 2HG2 ILE 13 2HG2 ILE 13 -9.786 -0.283 -8.279 46 3HG2 ILE 13 3HG2 ILE 13 -8.122 0.127 -7.866 47 1HD1 ILE 13 1HD1 ILE 13 -5.375 -1.643 -7.880 48 2HD1 ILE 13 2HD1 ILE 13 -5.990 -1.888 -6.246 49 3HD1 ILE 13 3HD1 ILE 13 -6.454 -0.450 -7.158 50 H GLY 14 H GLY 14 -9.368 0.135 -4.488 51 1HA GLY 14 2HA GLY 14 -11.555 1.079 -4.229 52 2HA GLY 14 1HA GLY 14 -12.227 -0.540 -4.334 53 H LEU 15 H LEU 15 -9.467 -0.421 -2.375 54 HA LEU 15 HA LEU 15 -11.165 -0.407 0.029 55 1HB LEU 15 2HB LEU 15 -8.477 -1.713 -0.409 56 2HB LEU 15 1HB LEU 15 -9.399 -1.762 1.083 57 HG LEU 15 HG LEU 15 -10.230 -2.984 -1.551 58 1HD1 LEU 15 1HD1 LEU 15 -9.466 -4.974 -0.819 59 2HD1 LEU 15 2HD1 LEU 15 -9.845 -4.622 0.867 60 3HD1 LEU 15 3HD1 LEU 15 -8.380 -3.965 0.136 61 1HD2 LEU 15 1HD2 LEU 15 -11.947 -4.059 0.098 62 2HD2 LEU 15 2HD2 LEU 15 -12.254 -2.465 -0.591 63 3HD2 LEU 15 3HD2 LEU 15 -11.635 -2.611 1.054 64 H SER 16 H SER 16 -10.009 0.310 2.047 65 HA SER 16 HA SER 16 -8.621 2.815 1.471 66 1HB SER 16 2HB SER 16 -9.831 1.771 4.044 67 2HB SER 16 1HB SER 16 -9.091 3.359 3.846 68 HG SER 16 HG SER 16 -11.287 3.585 3.569 69 H VAL 17 H VAL 17 -6.755 3.445 2.768 70 HA VAL 17 HA VAL 17 -5.167 1.146 3.703 71 HB VAL 17 HB VAL 17 -4.066 3.478 2.133 72 1HG1 VAL 17 1HG1 VAL 17 -2.821 0.932 3.150 73 2HG1 VAL 17 2HG1 VAL 17 -2.415 2.586 3.609 74 3HG1 VAL 17 3HG1 VAL 17 -2.054 2.007 1.982 75 1HG2 VAL 17 1HG2 VAL 17 -3.641 1.348 0.545 76 2HG2 VAL 17 2HG2 VAL 17 -5.044 2.411 0.405 77 3HG2 VAL 17 3HG2 VAL 17 -5.177 0.885 1.280 78 H ARG 18 H ARG 18 -3.535 1.620 5.248 79 HA ARG 18 HA ARG 18 -3.582 4.251 6.511 80 1HB ARG 18 2HB ARG 18 -5.319 2.721 7.595 81 2HB ARG 18 1HB ARG 18 -3.968 1.747 8.157 82 1HG ARG 18 2HG ARG 18 -4.407 4.653 8.820 83 2HG ARG 18 1HG ARG 18 -4.808 3.293 9.867 84 1HD ARG 18 2HD ARG 18 -2.404 2.634 9.820 85 2HD ARG 18 1HD ARG 18 -2.065 4.112 8.922 86 HE ARG 18 HE ARG 18 -2.422 3.889 11.717 87 1HH1 ARG 18 1HH1 ARG 18 -3.084 6.007 9.021 88 2HH1 ARG 18 2HH1 ARG 18 -3.184 7.429 10.005 89 1HH2 ARG 18 1HH2 ARG 18 -2.548 5.759 13.007 90 2HH2 ARG 18 2HH2 ARG 18 -2.876 7.289 12.266 91 H ILE 19 H ILE 19 -1.463 4.589 5.960 92 HA ILE 19 HA ILE 19 0.562 2.595 6.353 93 HB ILE 19 HB ILE 19 0.834 5.533 5.714 94 1HG1 ILE 19 2HG1 ILE 19 0.825 3.074 3.952 95 2HG1 ILE 19 1HG1 ILE 19 -0.405 4.337 3.998 96 1HG2 ILE 19 1HG2 ILE 19 3.021 3.983 4.769 97 2HG2 ILE 19 2HG2 ILE 19 2.802 3.644 6.484 98 3HG2 ILE 19 3HG2 ILE 19 3.031 5.306 5.936 99 1HD1 ILE 19 1HD1 ILE 19 2.455 4.683 3.104 100 2HD1 ILE 19 2HD1 ILE 19 1.236 5.956 3.160 101 3HD1 ILE 19 3HD1 ILE 19 1.039 4.594 2.054 102 H ALA 20 H ALA 20 1.979 2.352 7.973 103 HA ALA 20 HA ALA 20 1.690 4.120 10.302 104 1HB ALA 20 1HB ALA 20 3.093 1.927 11.184 105 2HB ALA 20 2HB ALA 20 1.980 1.237 10.002 106 3HB ALA 20 3HB ALA 20 1.357 2.176 11.357 107 H ARG 21 H ARG 21 3.887 2.878 7.953 108 HA ARG 21 HA ARG 21 5.909 4.743 8.823 109 1HB ARG 21 2HB ARG 21 6.527 2.672 9.977 110 2HB ARG 21 1HB ARG 21 6.522 1.818 8.442 111 1HG ARG 21 2HG ARG 21 8.361 3.211 7.653 112 2HG ARG 21 1HG ARG 21 8.370 4.068 9.196 113 1HD ARG 21 2HD ARG 21 8.875 1.956 10.348 114 2HD ARG 21 1HD ARG 21 8.895 1.122 8.794 115 HE ARG 21 HE ARG 21 11.032 1.844 8.524 116 1HH1 ARG 21 1HH1 ARG 21 9.448 3.998 10.770 117 2HH1 ARG 21 2HH1 ARG 21 10.860 4.966 11.028 118 1HH2 ARG 21 1HH2 ARG 21 12.890 3.114 8.869 119 2HH2 ARG 21 2HH2 ARG 21 12.814 4.464 9.951 120 H SER 22 H SER 22 7.217 5.458 7.192 121 HA SER 22 HA SER 22 6.873 4.284 4.532 122 1HB SER 22 2HB SER 22 6.488 7.229 5.118 123 2HB SER 22 1HB SER 22 6.459 6.479 3.522 124 HG SER 22 HG SER 22 4.422 6.172 3.890 125 H VAL 23 H VAL 23 8.424 5.199 2.929 126 HA VAL 23 HA VAL 23 11.046 5.015 3.850 127 HB VAL 23 HB VAL 23 10.151 6.317 1.318 128 1HG1 VAL 23 1HG1 VAL 23 12.292 6.500 0.713 129 2HG1 VAL 23 2HG1 VAL 23 12.652 4.857 1.242 130 3HG1 VAL 23 3HG1 VAL 23 12.686 6.185 2.403 131 1HG2 VAL 23 1HG2 VAL 23 9.349 3.916 1.817 132 2HG2 VAL 23 2HG2 VAL 23 11.030 3.471 1.528 133 3HG2 VAL 23 3HG2 VAL 23 10.098 4.251 0.256 134 H HIS 24 H HIS 24 9.371 7.914 2.639 135 HA HIS 24 HA HIS 24 11.378 9.565 4.002 136 1HB HIS 24 2HB HIS 24 10.629 9.775 1.470 137 2HB HIS 24 1HB HIS 24 9.323 10.727 2.169 138 HD1 HIS 24 1HD HIS 24 10.642 12.464 4.179 139 HD2 HIS 24 2HD HIS 24 12.471 11.515 0.574 140 HE1 HIS 24 1HE HIS 24 12.324 14.286 3.781 141 HE2 HIS 24 2HE HIS 24 13.359 13.739 1.551 142 H ARG 25 H ARG 25 10.850 10.963 5.607 143 HA ARG 25 HA ARG 25 8.666 10.527 7.231 144 1HB ARG 25 2HB ARG 25 10.264 13.074 6.955 145 2HB ARG 25 1HB ARG 25 9.235 12.661 8.321 146 1HG ARG 25 2HG ARG 25 10.659 10.787 8.872 147 2HG ARG 25 1HG ARG 25 11.659 11.100 7.452 148 1HD ARG 25 2HD ARG 25 11.265 12.981 9.778 149 2HD ARG 25 1HD ARG 25 12.681 11.967 9.508 150 HE ARG 25 HE ARG 25 12.270 13.549 7.234 151 1HH1 ARG 25 1HH1 ARG 25 13.205 13.897 10.578 152 2HH1 ARG 25 2HH1 ARG 25 14.170 15.305 10.292 153 1HH2 ARG 25 1HH2 ARG 25 13.540 15.400 6.855 154 2HH2 ARG 25 2HH2 ARG 25 14.360 16.159 8.179 155 H ASP 26 H ASP 26 8.836 12.428 4.363 156 HA ASP 26 HA ASP 26 6.570 14.066 4.888 157 1HB ASP 26 2HB ASP 26 7.942 13.401 2.279 158 2HB ASP 26 1HB ASP 26 6.724 14.655 2.490 159 H ILE 27 H ILE 27 6.884 10.810 4.073 160 HA ILE 27 HA ILE 27 4.131 10.732 3.103 161 HB ILE 27 HB ILE 27 4.804 8.542 1.995 162 1HG1 ILE 27 2HG1 ILE 27 7.554 9.732 2.414 163 2HG1 ILE 27 1HG1 ILE 27 6.945 8.267 3.172 164 1HG2 ILE 27 1HG2 ILE 27 4.312 10.306 0.556 165 2HG2 ILE 27 2HG2 ILE 27 5.930 9.809 0.065 166 3HG2 ILE 27 3HG2 ILE 27 5.715 11.243 1.069 167 1HD1 ILE 27 1HD1 ILE 27 6.799 8.286 0.244 168 2HD1 ILE 27 2HD1 ILE 27 7.335 7.019 1.350 169 3HD1 ILE 27 3HD1 ILE 27 8.431 8.330 0.912 170 H GLN 28 H GLN 28 5.895 10.135 5.749 171 HA GLN 28 HA GLN 28 4.850 7.529 6.406 172 1HB GLN 28 2HB GLN 28 7.094 8.046 7.134 173 2HB GLN 28 1HB GLN 28 6.533 9.488 7.969 174 1HG GLN 28 2HG GLN 28 5.256 8.085 9.516 175 2HG GLN 28 1HG GLN 28 5.848 6.649 8.689 176 1HE2 GLN 28 1HE2 GLN 28 7.396 5.681 9.767 177 2HE2 GLN 28 2HE2 GLN 28 8.626 6.447 10.706 178 H GLY 29 H GLY 29 3.498 7.094 8.206 179 1HA GLY 29 2HA GLY 29 1.681 7.427 9.562 180 2HA GLY 29 1HA GLY 29 2.308 9.042 9.837 181 H ILE 30 H ILE 30 1.635 8.233 6.565 182 HA ILE 30 HA ILE 30 -0.701 9.970 6.666 183 HB ILE 30 HB ILE 30 0.949 9.192 4.267 184 1HG1 ILE 30 2HG1 ILE 30 0.919 11.721 5.928 185 2HG1 ILE 30 1HG1 ILE 30 2.246 10.570 5.790 186 1HG2 ILE 30 1HG2 ILE 30 -0.571 10.181 2.976 187 2HG2 ILE 30 2HG2 ILE 30 -0.639 11.596 4.026 188 3HG2 ILE 30 3HG2 ILE 30 -1.644 10.191 4.377 189 1HD1 ILE 30 1HD1 ILE 30 2.873 12.330 4.402 190 2HD1 ILE 30 2HD1 ILE 30 1.242 12.530 3.760 191 3HD1 ILE 30 3HD1 ILE 30 2.209 11.135 3.287 192 H SER 31 H SER 31 -2.673 9.236 6.231 193 HA SER 31 HA SER 31 -2.947 6.457 5.328 194 1HB SER 31 2HB SER 31 -5.249 6.604 6.218 195 2HB SER 31 1HB SER 31 -4.052 6.990 7.453 196 HG SER 31 HG SER 31 -5.196 8.738 7.683 197 H GLY 32 H GLY 32 -4.708 5.966 3.787 198 1HA GLY 32 2HA GLY 32 -5.936 8.046 2.286 199 2HA GLY 32 1HA GLY 32 -4.508 7.456 1.454 200 H ARG 33 H ARG 33 -6.026 6.898 -0.218 201 HA ARG 33 HA ARG 33 -7.372 4.362 0.324 202 1HB ARG 33 2HB ARG 33 -8.269 6.581 -1.460 203 2HB ARG 33 1HB ARG 33 -8.871 4.938 -1.641 204 1HG ARG 33 2HG ARG 33 -9.412 5.035 0.832 205 2HG ARG 33 1HG ARG 33 -9.185 6.779 0.697 206 1HD ARG 33 2HD ARG 33 -11.539 6.163 0.493 207 2HD ARG 33 1HD ARG 33 -10.941 6.875 -0.999 208 HE ARG 33 HE ARG 33 -10.644 4.141 -1.267 209 1HH1 ARG 33 1HH1 ARG 33 -13.275 6.377 -0.767 210 2HH1 ARG 33 2HH1 ARG 33 -14.433 5.397 -1.603 211 1HH2 ARG 33 1HH2 ARG 33 -12.162 2.854 -2.373 212 2HH2 ARG 33 2HH2 ARG 33 -13.798 3.398 -2.520 213 H VAL 34 H VAL 34 -7.796 3.162 -1.836 214 HA VAL 34 HA VAL 34 -5.098 2.706 -2.888 215 HB VAL 34 HB VAL 34 -7.501 0.892 -3.052 216 1HG1 VAL 34 1HG1 VAL 34 -4.604 0.527 -3.763 217 2HG1 VAL 34 2HG1 VAL 34 -6.023 0.284 -4.780 218 3HG1 VAL 34 3HG1 VAL 34 -5.683 -0.834 -3.459 219 1HG2 VAL 34 1HG2 VAL 34 -6.754 -0.232 -1.158 220 2HG2 VAL 34 2HG2 VAL 34 -6.534 1.466 -0.738 221 3HG2 VAL 34 3HG2 VAL 34 -5.149 0.495 -1.241 222 H VAL 35 H VAL 35 -4.647 2.270 -5.055 223 HA VAL 35 HA VAL 35 -6.729 2.855 -7.007 224 HB VAL 35 HB VAL 35 -5.427 4.971 -6.639 225 1HG1 VAL 35 1HG1 VAL 35 -3.227 3.791 -8.220 226 2HG1 VAL 35 2HG1 VAL 35 -3.247 3.654 -6.469 227 3HG1 VAL 35 3HG1 VAL 35 -3.251 5.241 -7.219 228 1HG2 VAL 35 1HG2 VAL 35 -5.868 5.579 -8.760 229 2HG2 VAL 35 2HG2 VAL 35 -6.519 3.945 -8.888 230 3HG2 VAL 35 3HG2 VAL 35 -4.878 4.286 -9.437 231 H ASP 36 H ASP 36 -3.357 1.822 -6.497 232 HA ASP 36 HA ASP 36 -3.785 -0.523 -8.084 233 1HB ASP 36 2HB ASP 36 -3.274 1.272 -9.780 234 2HB ASP 36 1HB ASP 36 -1.692 1.442 -9.028 235 H GLU 37 H GLU 37 -1.833 -1.942 -8.068 236 HA GLU 37 HA GLU 37 -0.022 -1.306 -5.836 237 1HB GLU 37 2HB GLU 37 -1.346 -3.971 -6.370 238 2HB GLU 37 1HB GLU 37 -0.107 -3.689 -5.157 239 1HG GLU 37 2HG GLU 37 -2.242 -3.730 -4.090 240 2HG GLU 37 1HG GLU 37 -1.617 -2.082 -4.043 241 H THR 38 H THR 38 2.094 -1.584 -6.275 242 HA THR 38 HA THR 38 2.797 -3.177 -8.653 243 HB THR 38 HB THR 38 4.189 -0.683 -7.658 244 HG1 THR 38 1HG THR 38 2.739 0.315 -8.772 245 1HG2 THR 38 1HG2 THR 38 5.523 -2.453 -8.968 246 2HG2 THR 38 2HG2 THR 38 5.596 -0.768 -9.485 247 3HG2 THR 38 3HG2 THR 38 4.570 -1.913 -10.350 248 H ARG 39 H ARG 39 4.739 -4.364 -8.554 249 HA ARG 39 HA ARG 39 5.294 -5.604 -6.132 250 1HB ARG 39 2HB ARG 39 6.799 -5.459 -8.722 251 2HB ARG 39 1HB ARG 39 7.436 -6.353 -7.349 252 1HG ARG 39 2HG ARG 39 5.504 -7.779 -7.315 253 2HG ARG 39 1HG ARG 39 4.740 -6.828 -8.592 254 1HD ARG 39 2HD ARG 39 7.319 -8.370 -8.862 255 2HD ARG 39 1HD ARG 39 5.745 -8.914 -9.441 256 HE ARG 39 HE ARG 39 7.498 -7.128 -10.756 257 1HH1 ARG 39 1HH1 ARG 39 4.106 -7.711 -10.172 258 2HH1 ARG 39 2HH1 ARG 39 3.589 -6.874 -11.595 259 1HH2 ARG 39 1HH2 ARG 39 6.820 -6.034 -12.632 260 2HH2 ARG 39 2HH2 ARG 39 5.129 -5.924 -12.995 261 H ASN 40 H ASN 40 6.421 -2.558 -7.233 262 HA ASN 40 HA ASN 40 8.255 -2.504 -4.949 263 1HB ASN 40 2HB ASN 40 9.902 -1.208 -6.236 264 2HB ASN 40 1HB ASN 40 9.664 -2.823 -6.882 265 1HD2 ASN 40 1HD2 ASN 40 7.003 -0.991 -7.749 266 2HD2 ASN 40 2HD2 ASN 40 7.534 -0.495 -9.308 267 H THR 41 H THR 41 5.492 -1.252 -5.951 268 HA THR 41 HA THR 41 5.900 1.148 -4.417 269 HB THR 41 HB THR 41 4.939 2.623 -6.252 270 HG1 THR 41 1HG THR 41 5.979 0.631 -7.962 271 1HG2 THR 41 1HG2 THR 41 7.319 2.653 -5.515 272 2HG2 THR 41 2HG2 THR 41 7.033 3.183 -7.174 273 3HG2 THR 41 3HG2 THR 41 7.680 1.571 -6.861 274 H LEU 42 H LEU 42 3.994 2.269 -3.891 275 HA LEU 42 HA LEU 42 1.558 0.641 -4.239 276 1HB LEU 42 2HB LEU 42 2.560 2.269 -1.941 277 2HB LEU 42 1HB LEU 42 0.832 2.076 -2.160 278 HG LEU 42 HG LEU 42 2.858 -0.096 -1.647 279 1HD1 LEU 42 1HD1 LEU 42 0.686 1.218 -0.069 280 2HD1 LEU 42 2HD1 LEU 42 2.338 0.829 0.408 281 3HD1 LEU 42 3HD1 LEU 42 1.134 -0.453 0.267 282 1HD2 LEU 42 1HD2 LEU 42 -0.049 -0.285 -2.415 283 2HD2 LEU 42 2HD2 LEU 42 0.829 -1.594 -1.625 284 3HD2 LEU 42 3HD2 LEU 42 1.333 -1.030 -3.217 285 H ARG 43 H ARG 43 -0.198 1.549 -5.139 286 HA ARG 43 HA ARG 43 -0.045 4.420 -5.741 287 1HB ARG 43 2HB ARG 43 -0.204 2.350 -7.501 288 2HB ARG 43 1HB ARG 43 -1.903 2.711 -7.287 289 1HG ARG 43 2HG ARG 43 -1.479 5.044 -7.934 290 2HG ARG 43 1HG ARG 43 0.226 4.659 -8.143 291 1HD ARG 43 2HD ARG 43 -0.347 3.043 -9.888 292 2HD ARG 43 1HD ARG 43 -2.056 3.421 -9.681 293 HE ARG 43 HE ARG 43 -1.739 5.219 -11.034 294 1HH1 ARG 43 1HH1 ARG 43 1.352 4.357 -9.658 295 2HH1 ARG 43 2HH1 ARG 43 2.215 5.592 -10.511 296 1HH2 ARG 43 1HH2 ARG 43 -0.603 6.838 -12.160 297 2HH2 ARG 43 2HH2 ARG 43 1.106 6.999 -11.932 298 H ILE 44 H ILE 44 -1.505 5.673 -4.767 299 HA ILE 44 HA ILE 44 -3.722 4.392 -3.316 300 HB ILE 44 HB ILE 44 -2.078 6.848 -2.760 301 1HG1 ILE 44 2HG1 ILE 44 -2.577 4.319 -1.186 302 2HG1 ILE 44 1HG1 ILE 44 -1.120 4.701 -2.098 303 1HG2 ILE 44 1HG2 ILE 44 -3.982 6.234 -0.666 304 2HG2 ILE 44 2HG2 ILE 44 -4.765 6.748 -2.158 305 3HG2 ILE 44 3HG2 ILE 44 -3.555 7.777 -1.400 306 1HD1 ILE 44 1HD1 ILE 44 -2.092 5.840 0.478 307 2HD1 ILE 44 2HD1 ILE 44 -1.011 6.778 -0.552 308 3HD1 ILE 44 3HD1 ILE 44 -0.502 5.204 0.058 309 H GLU 45 H GLU 45 -5.764 4.760 -4.049 310 HA GLU 45 HA GLU 45 -6.368 7.472 -4.959 311 1HB GLU 45 2HB GLU 45 -6.351 6.262 -7.027 312 2HB GLU 45 1HB GLU 45 -7.309 4.951 -6.344 313 1HG GLU 45 2HG GLU 45 -9.198 6.509 -6.094 314 2HG GLU 45 1HG GLU 45 -8.228 7.778 -6.836 315 H MET 46 H MET 46 -8.246 8.277 -4.339 316 HA MET 46 HA MET 46 -9.937 6.643 -2.573 317 1HB MET 46 2HB MET 46 -10.405 8.723 -1.297 318 2HB MET 46 1HB MET 46 -8.722 8.233 -1.219 319 1HG MET 46 2HG MET 46 -8.565 9.902 -3.280 320 2HG MET 46 1HG MET 46 -9.957 10.604 -2.459 321 1HE MET 46 1HE MET 46 -6.119 9.849 -2.316 322 2HE MET 46 2HE MET 46 -6.770 8.752 -1.093 323 3HE MET 46 3HE MET 46 -5.761 10.114 -0.607 324 H ASP 47 H ASP 47 -12.063 6.658 -2.898 325 HA ASP 47 HA ASP 47 -13.230 7.112 -5.279 326 1HB ASP 47 2HB ASP 47 -14.322 5.893 -3.476 327 2HB ASP 47 1HB ASP 47 -14.571 7.393 -2.587 328 H ASP 48 H ASP 48 -12.536 9.562 -2.932 329 HA ASP 48 HA ASP 48 -14.304 11.559 -3.781 330 1HB ASP 48 2HB ASP 48 -11.494 11.873 -2.700 331 2HB ASP 48 1HB ASP 48 -12.698 13.154 -2.797 332 H GLY 49 H GLY 49 -11.698 10.103 -5.397 333 1HA GLY 49 2HA GLY 49 -11.314 10.433 -7.710 334 2HA GLY 49 1HA GLY 49 -11.884 12.088 -7.543 335 H ARG 50 H ARG 50 -9.786 10.983 -5.098 336 HA ARG 50 HA ARG 50 -7.621 12.607 -6.262 337 1HB ARG 50 2HB ARG 50 -8.200 11.908 -3.397 338 2HB ARG 50 1HB ARG 50 -6.769 12.774 -3.924 339 1HG ARG 50 2HG ARG 50 -8.153 14.583 -4.761 340 2HG ARG 50 1HG ARG 50 -9.609 13.700 -4.299 341 1HD ARG 50 2HD ARG 50 -9.041 15.415 -2.650 342 2HD ARG 50 1HD ARG 50 -8.942 13.796 -1.959 343 HE ARG 50 HE ARG 50 -6.404 14.522 -2.892 344 1HH1 ARG 50 1HH1 ARG 50 -8.671 15.415 -0.393 345 2HH1 ARG 50 2HH1 ARG 50 -7.443 15.949 0.704 346 1HH2 ARG 50 1HH2 ARG 50 -4.787 15.223 -1.449 347 2HH2 ARG 50 2HH2 ARG 50 -5.238 15.841 0.104 348 H GLU 51 H GLU 51 -5.803 11.677 -6.904 349 HA GLU 51 HA GLU 51 -5.221 8.968 -5.914 350 1HB GLU 51 2HB GLU 51 -4.256 8.458 -8.082 351 2HB GLU 51 1HB GLU 51 -5.905 9.035 -8.286 352 1HG GLU 51 2HG GLU 51 -5.068 11.234 -8.919 353 2HG GLU 51 1HG GLU 51 -3.413 10.665 -8.712 354 H ILE 52 H ILE 52 -3.088 8.468 -5.426 355 HA ILE 52 HA ILE 52 -0.940 10.335 -5.853 356 HB ILE 52 HB ILE 52 -2.020 11.330 -3.884 357 1HG1 ILE 52 2HG1 ILE 52 -0.038 11.352 -2.396 358 2HG1 ILE 52 1HG1 ILE 52 0.618 9.974 -3.278 359 1HG2 ILE 52 1HG2 ILE 52 -2.466 10.219 -1.915 360 2HG2 ILE 52 2HG2 ILE 52 -1.302 8.937 -2.250 361 3HG2 ILE 52 3HG2 ILE 52 -2.836 8.983 -3.118 362 1HD1 ILE 52 1HD1 ILE 52 0.700 11.342 -5.322 363 2HD1 ILE 52 2HD1 ILE 52 1.668 12.035 -4.018 364 3HD1 ILE 52 3HD1 ILE 52 0.089 12.721 -4.409 365 H THR 53 H THR 53 1.120 9.411 -5.449 366 HA THR 53 HA THR 53 1.052 6.495 -5.191 367 HB THR 53 HB THR 53 2.133 7.421 -7.179 368 HG1 THR 53 1HG THR 53 2.970 5.488 -6.218 369 1HG2 THR 53 1HG2 THR 53 3.217 9.351 -6.963 370 2HG2 THR 53 2HG2 THR 53 4.571 8.359 -6.421 371 3HG2 THR 53 3HG2 THR 53 3.499 9.110 -5.239 372 H VAL 54 H VAL 54 2.597 5.369 -3.887 373 HA VAL 54 HA VAL 54 4.037 6.895 -1.868 374 HB VAL 54 HB VAL 54 2.003 4.804 -1.078 375 1HG1 VAL 54 1HG1 VAL 54 3.467 4.602 0.642 376 2HG1 VAL 54 2HG1 VAL 54 2.664 6.066 1.208 377 3HG1 VAL 54 3HG1 VAL 54 4.197 6.179 0.345 378 1HG2 VAL 54 1HG2 VAL 54 0.918 6.776 0.081 379 2HG2 VAL 54 2HG2 VAL 54 0.792 6.753 -1.678 380 3HG2 VAL 54 3HG2 VAL 54 1.965 7.811 -0.891 381 HA PRO 55 HA PRO 55 6.945 3.621 -2.779 382 1HB PRO 55 2HB PRO 55 8.250 4.493 -0.272 383 2HB PRO 55 1HB PRO 55 8.900 4.426 -1.914 384 1HG PRO 55 2HG PRO 55 8.313 6.760 -0.769 385 2HG PRO 55 1HG PRO 55 7.998 6.482 -2.492 386 1HD PRO 55 2HD PRO 55 6.082 6.431 -0.187 387 2HD PRO 55 1HD PRO 55 5.884 7.144 -1.803 388 H LYS 56 H LYS 56 6.730 1.538 -2.366 389 HA LYS 56 HA LYS 56 5.757 0.658 0.257 390 1HB LYS 56 2HB LYS 56 5.030 -1.347 -0.814 391 2HB LYS 56 1HB LYS 56 4.519 0.005 -1.812 392 1HG LYS 56 2HG LYS 56 6.410 -0.376 -3.304 393 2HG LYS 56 1HG LYS 56 6.916 -1.740 -2.311 394 1HD LYS 56 2HD LYS 56 4.268 -1.532 -3.741 395 2HD LYS 56 1HD LYS 56 5.674 -2.411 -4.340 396 1HE LYS 56 2HE LYS 56 4.282 -4.027 -3.331 397 2HE LYS 56 1HE LYS 56 5.596 -3.743 -2.194 398 1HZ LYS 56 1HZ LYS 56 4.168 -3.070 -0.654 399 2HZ LYS 56 2HZ LYS 56 2.919 -3.628 -1.649 400 3HZ LYS 56 3HZ LYS 56 3.387 -2.005 -1.713 401 H GLY 57 H GLY 57 8.688 0.994 -1.245 402 1HA GLY 57 2HA GLY 57 10.037 -1.372 -1.100 403 2HA GLY 57 1HA GLY 57 10.775 0.172 -0.718 404 H ILE 58 H ILE 58 9.585 0.834 1.678 405 HA ILE 58 HA ILE 58 9.818 -1.402 3.439 406 HB ILE 58 HB ILE 58 11.335 0.096 4.866 407 1HG1 ILE 58 2HG1 ILE 58 13.009 1.326 3.349 408 2HG1 ILE 58 1HG1 ILE 58 11.727 1.282 2.144 409 1HG2 ILE 58 1HG2 ILE 58 11.874 -2.124 3.803 410 2HG2 ILE 58 2HG2 ILE 58 13.253 -1.079 4.138 411 3HG2 ILE 58 3HG2 ILE 58 12.623 -1.208 2.495 412 1HD1 ILE 58 1HD1 ILE 58 11.932 3.372 3.544 413 2HD1 ILE 58 2HD1 ILE 58 11.308 2.414 4.885 414 3HD1 ILE 58 3HD1 ILE 58 10.329 2.645 3.438 415 H ALA 59 H ALA 59 7.494 -0.461 3.110 416 HA ALA 59 HA ALA 59 7.070 1.449 5.299 417 1HB ALA 59 1HB ALA 59 6.787 2.715 3.318 418 2HB ALA 59 2HB ALA 59 5.181 2.418 3.983 419 3HB ALA 59 3HB ALA 59 5.752 1.477 2.604 420 H VAL 60 H VAL 60 6.030 0.455 6.901 421 HA VAL 60 HA VAL 60 4.317 -1.804 6.500 422 HB VAL 60 HB VAL 60 5.568 -1.532 8.590 423 1HG1 VAL 60 1HG1 VAL 60 4.662 1.106 8.466 424 2HG1 VAL 60 2HG1 VAL 60 5.626 0.366 9.743 425 3HG1 VAL 60 3HG1 VAL 60 3.868 0.405 9.876 426 1HG2 VAL 60 1HG2 VAL 60 3.711 -1.991 10.165 427 2HG2 VAL 60 2HG2 VAL 60 3.583 -2.899 8.658 428 3HG2 VAL 60 3HG2 VAL 60 2.571 -1.479 8.921 429 H PHE 61 H PHE 61 2.236 -1.745 5.854 430 HA PHE 61 HA PHE 61 0.609 0.565 6.620 431 1HB PHE 61 2HB PHE 61 -0.315 0.581 4.235 432 2HB PHE 61 1HB PHE 61 1.284 1.272 4.489 433 HD1 PHE 61 1HD PHE 61 3.012 0.635 3.122 434 HD2 PHE 61 2HD PHE 61 -0.353 -1.936 3.521 435 HE1 PHE 61 1HE PHE 61 3.938 -0.838 1.384 436 HE2 PHE 61 2HE PHE 61 0.567 -3.414 1.781 437 HZ PHE 61 HZ PHE 61 2.717 -2.868 0.714 438 H HIS 62 H HIS 62 -1.575 0.201 6.796 439 HA HIS 62 HA HIS 62 -2.408 -2.621 6.625 440 1HB HIS 62 2HB HIS 62 -3.579 -0.502 8.437 441 2HB HIS 62 1HB HIS 62 -3.864 -2.238 8.498 442 HD1 HIS 62 1HD HIS 62 -1.322 -3.555 8.809 443 HD2 HIS 62 2HD HIS 62 -1.924 0.220 10.428 444 HE1 HIS 62 1HE HIS 62 0.413 -3.316 10.611 445 HE2 HIS 62 2HE HIS 62 -0.029 -1.059 11.638 446 H PHE 63 H PHE 63 -4.180 -3.115 5.435 447 HA PHE 63 HA PHE 63 -5.543 -0.890 4.091 448 1HB PHE 63 2HB PHE 63 -5.167 -3.789 3.388 449 2HB PHE 63 1HB PHE 63 -6.408 -2.820 2.606 450 HD1 PHE 63 1HD PHE 63 -3.046 -1.625 3.605 451 HD2 PHE 63 2HD PHE 63 -5.589 -2.828 0.413 452 HE1 PHE 63 1HE PHE 63 -1.393 -0.806 1.982 453 HE2 PHE 63 2HE PHE 63 -3.937 -2.014 -1.215 454 HZ PHE 63 HZ PHE 63 -1.833 -1.003 -0.430 455 H ARG 64 H ARG 64 -7.449 -0.293 4.861 456 HA ARG 64 HA ARG 64 -8.997 -2.066 6.556 457 1HB ARG 64 2HB ARG 64 -9.401 0.800 5.685 458 2HB ARG 64 1HB ARG 64 -10.527 -0.064 6.721 459 1HG ARG 64 2HG ARG 64 -7.627 0.324 7.403 460 2HG ARG 64 1HG ARG 64 -8.903 1.438 7.895 461 1HD ARG 64 2HD ARG 64 -10.038 -0.387 9.067 462 2HD ARG 64 1HD ARG 64 -8.763 -1.497 8.575 463 HE ARG 64 HE ARG 64 -7.536 -0.737 10.332 464 1HH1 ARG 64 1HH1 ARG 64 -9.873 1.723 9.511 465 2HH1 ARG 64 2HH1 ARG 64 -9.379 2.792 10.781 466 1HH2 ARG 64 1HH2 ARG 64 -6.890 0.665 12.006 467 2HH2 ARG 64 2HH2 ARG 64 -7.688 2.190 12.198 468 H THR 65 H THR 65 -10.869 -3.064 6.030 469 HA THR 65 HA THR 65 -11.841 -2.711 3.273 470 HB THR 65 HB THR 65 -11.937 -5.181 5.007 471 HG1 THR 65 1HG THR 65 -10.372 -5.958 3.685 472 1HG2 THR 65 1HG2 THR 65 -12.424 -5.509 2.162 473 2HG2 THR 65 2HG2 THR 65 -13.682 -4.590 2.989 474 3HG2 THR 65 3HG2 THR 65 -13.260 -6.208 3.547 475 HA PRO 66 HA PRO 66 -15.563 -0.889 4.907 476 1HB PRO 66 2HB PRO 66 -16.665 -2.472 2.613 477 2HB PRO 66 1HB PRO 66 -17.012 -0.806 3.097 478 1HG PRO 66 2HG PRO 66 -15.352 -1.315 1.077 479 2HG PRO 66 1HG PRO 66 -15.028 0.005 2.215 480 1HD PRO 66 2HD PRO 66 -13.683 -2.621 1.937 481 2HD PRO 66 1HD PRO 66 -13.048 -1.086 2.557 482 H GLN 67 H GLN 67 -15.255 -4.325 4.194 483 HA GLN 67 HA GLN 67 -17.653 -5.216 5.324 484 1HB GLN 67 2HB GLN 67 -16.032 -6.552 3.930 485 2HB GLN 67 1HB GLN 67 -15.015 -6.683 5.359 486 1HG GLN 67 2HG GLN 67 -16.380 -8.675 5.017 487 2HG GLN 67 1HG GLN 67 -16.767 -7.864 6.535 488 1HE2 GLN 67 1HE2 GLN 67 -17.952 -9.042 3.607 489 2HE2 GLN 67 2HE2 GLN 67 -19.569 -8.450 3.734 490 H GLY 68 H GLY 68 -14.884 -3.865 6.789 491 1HA GLY 68 2HA GLY 68 -14.970 -3.137 9.065 492 2HA GLY 68 1HA GLY 68 -15.970 -4.534 9.434 493 H GLU 69 H GLU 69 -13.117 -4.797 7.445 494 HA GLU 69 HA GLU 69 -11.703 -6.042 9.715 495 1HB GLU 69 2HB GLU 69 -10.810 -7.751 8.191 496 2HB GLU 69 1HB GLU 69 -12.563 -7.819 8.295 497 1HG GLU 69 2HG GLU 69 -12.735 -6.632 6.169 498 2HG GLU 69 1HG GLU 69 -10.974 -6.574 6.065 499 H LEU 70 H LEU 70 -9.378 -6.059 9.559 500 HA LEU 70 HA LEU 70 -8.331 -4.001 7.738 501 1HB LEU 70 2HB LEU 70 -8.514 -3.045 9.952 502 2HB LEU 70 1HB LEU 70 -7.664 -4.409 10.652 503 HG LEU 70 HG LEU 70 -6.329 -2.281 10.420 504 1HD1 LEU 70 1HD1 LEU 70 -4.958 -4.366 8.807 505 2HD1 LEU 70 2HD1 LEU 70 -5.494 -4.788 10.433 506 3HD1 LEU 70 3HD1 LEU 70 -4.377 -3.444 10.193 507 1HD2 LEU 70 1HD2 LEU 70 -6.109 -1.252 8.457 508 2HD2 LEU 70 2HD2 LEU 70 -7.292 -2.378 7.791 509 3HD2 LEU 70 3HD2 LEU 70 -5.572 -2.738 7.678 510 H VAL 71 H VAL 71 -6.710 -4.619 6.519 511 HA VAL 71 HA VAL 71 -5.344 -7.146 7.129 512 HB VAL 71 HB VAL 71 -5.358 -5.585 4.538 513 1HG1 VAL 71 1HG1 VAL 71 -4.818 -8.403 4.311 514 2HG1 VAL 71 2HG1 VAL 71 -3.672 -7.636 5.407 515 3HG1 VAL 71 3HG1 VAL 71 -3.859 -7.030 3.763 516 1HG2 VAL 71 1HG2 VAL 71 -6.781 -8.157 4.709 517 2HG2 VAL 71 2HG2 VAL 71 -7.204 -6.679 3.845 518 3HG2 VAL 71 3HG2 VAL 71 -7.525 -6.812 5.575 519 H GLU 72 H GLU 72 -3.087 -7.269 7.211 520 HA GLU 72 HA GLU 72 -1.702 -4.671 7.288 521 1HB GLU 72 2HB GLU 72 -0.273 -5.524 9.064 522 2HB GLU 72 1HB GLU 72 -1.962 -5.610 9.539 523 1HG GLU 72 2HG GLU 72 -0.393 -7.942 8.467 524 2HG GLU 72 1HG GLU 72 -0.593 -7.586 10.180 525 H ILE 73 H ILE 73 0.092 -4.432 6.121 526 HA ILE 73 HA ILE 73 1.493 -6.807 5.122 527 HB ILE 73 HB ILE 73 0.709 -4.504 3.336 528 1HG1 ILE 73 2HG1 ILE 73 -0.651 -6.323 2.157 529 2HG1 ILE 73 1HG1 ILE 73 -0.462 -7.262 3.635 530 1HG2 ILE 73 1HG2 ILE 73 1.604 -5.865 1.531 531 2HG2 ILE 73 2HG2 ILE 73 2.035 -7.128 2.683 532 3HG2 ILE 73 3HG2 ILE 73 2.836 -5.557 2.755 533 1HD1 ILE 73 1HD1 ILE 73 -2.398 -5.299 3.048 534 2HD1 ILE 73 2HD1 ILE 73 -1.365 -4.648 4.320 535 3HD1 ILE 73 3HD1 ILE 73 -2.174 -6.196 4.550 536 H ASP 74 H ASP 74 3.446 -6.514 6.028 537 HA ASP 74 HA ASP 74 4.515 -3.969 6.651 538 1HB ASP 74 2HB ASP 74 5.879 -6.662 6.530 539 2HB ASP 74 1HB ASP 74 6.575 -5.209 7.235 540 H GLY 75 H GLY 75 4.838 -2.628 5.000 541 1HA GLY 75 2HA GLY 75 5.711 -3.179 2.430 542 2HA GLY 75 1HA GLY 75 5.895 -1.635 3.232 543 H ARG 76 H ARG 76 7.525 -3.441 5.279 544 HA ARG 76 HA ARG 76 10.041 -2.687 4.197 545 1HB ARG 76 2HB ARG 76 9.389 -4.215 6.701 546 2HB ARG 76 1HB ARG 76 10.965 -3.549 6.297 547 1HG ARG 76 2HG ARG 76 10.021 -1.294 6.334 548 2HG ARG 76 1HG ARG 76 8.442 -1.966 6.745 549 1HD ARG 76 2HD ARG 76 9.567 -1.133 8.734 550 2HD ARG 76 1HD ARG 76 9.376 -2.884 8.813 551 HE ARG 76 HE ARG 76 11.883 -2.330 7.714 552 1HH1 ARG 76 1HH1 ARG 76 10.192 -1.969 10.746 553 2HH1 ARG 76 2HH1 ARG 76 11.630 -2.073 11.705 554 1HH2 ARG 76 1HH2 ARG 76 13.776 -2.468 8.974 555 2HH2 ARG 76 2HH2 ARG 76 13.665 -2.357 10.697 556 H ALA 77 H ALA 77 8.977 -5.835 5.396 557 HA ALA 77 HA ALA 77 10.985 -7.077 3.708 558 1HB ALA 77 1HB ALA 77 9.421 -8.529 5.795 559 2HB ALA 77 2HB ALA 77 10.778 -7.487 6.221 560 3HB ALA 77 3HB ALA 77 11.032 -8.876 5.166 561 H LEU 78 H LEU 78 7.768 -6.431 3.321 562 HA LEU 78 HA LEU 78 7.183 -9.029 2.108 563 1HB LEU 78 2HB LEU 78 5.453 -6.695 2.841 564 2HB LEU 78 1HB LEU 78 4.874 -7.959 1.772 565 HG LEU 78 HG LEU 78 5.155 -9.628 3.502 566 1HD1 LEU 78 1HD1 LEU 78 5.655 -8.524 5.867 567 2HD1 LEU 78 2HD1 LEU 78 6.611 -7.437 4.859 568 3HD1 LEU 78 3HD1 LEU 78 6.929 -9.171 4.833 569 1HD2 LEU 78 1HD2 LEU 78 3.658 -8.462 5.309 570 2HD2 LEU 78 2HD2 LEU 78 3.030 -8.790 3.696 571 3HD2 LEU 78 3HD2 LEU 78 3.586 -7.171 4.113 572 H VAL 79 H VAL 79 8.709 -6.373 1.043 573 HA VAL 79 HA VAL 79 7.331 -5.942 -1.426 574 HB VAL 79 HB VAL 79 10.176 -5.200 -0.744 575 1HG1 VAL 79 1HG1 VAL 79 9.088 -3.330 -2.488 576 2HG1 VAL 79 2HG1 VAL 79 8.536 -4.886 -3.111 577 3HG1 VAL 79 3HG1 VAL 79 10.259 -4.586 -2.886 578 1HG2 VAL 79 1HG2 VAL 79 8.982 -4.084 0.883 579 2HG2 VAL 79 2HG2 VAL 79 7.563 -3.883 -0.145 580 3HG2 VAL 79 3HG2 VAL 79 9.000 -2.901 -0.425 581 H ALA 80 H ALA 80 7.234 -7.488 -2.926 582 HA ALA 80 HA ALA 80 9.543 -9.263 -3.302 583 1HB ALA 80 1HB ALA 80 7.995 -10.720 -4.524 584 2HB ALA 80 2HB ALA 80 6.701 -9.550 -4.273 585 3HB ALA 80 3HB ALA 80 7.420 -10.379 -2.892 586 H ARG 81 H ARG 81 10.936 -8.555 -4.782 587 HA ARG 81 HA ARG 81 10.055 -6.894 -6.987 588 1HB ARG 81 2HB ARG 81 12.803 -7.909 -6.244 589 2HB ARG 81 1HB ARG 81 12.467 -6.762 -7.532 590 1HG ARG 81 2HG ARG 81 11.591 -5.176 -5.890 591 2HG ARG 81 1HG ARG 81 11.935 -6.329 -4.599 592 1HD ARG 81 2HD ARG 81 14.317 -6.247 -5.161 593 2HD ARG 81 1HD ARG 81 13.971 -5.100 -6.458 594 HE ARG 81 HE ARG 81 12.962 -4.060 -4.065 595 1HH1 ARG 81 1HH1 ARG 81 16.034 -4.800 -5.545 596 2HH1 ARG 81 2HH1 ARG 81 16.888 -3.564 -4.683 597 1HH2 ARG 81 1HH2 ARG 81 14.084 -2.434 -2.930 598 2HH2 ARG 81 2HH2 ARG 81 15.781 -2.221 -3.199 599 HA PRO 82 HA PRO 82 9.895 -10.153 -9.947 600 1HB PRO 82 2HB PRO 82 10.101 -8.770 -12.239 601 2HB PRO 82 1HB PRO 82 8.693 -8.638 -11.182 602 1HG PRO 82 2HG PRO 82 10.977 -6.759 -11.530 603 2HG PRO 82 1HG PRO 82 9.268 -6.409 -11.228 604 1HD PRO 82 2HD PRO 82 11.291 -6.396 -9.314 605 2HD PRO 82 1HD PRO 82 9.553 -6.486 -8.979 606 H GLU 83 H GLU 83 11.944 -8.277 -12.021 607 HA GLU 83 HA GLU 83 13.624 -10.321 -12.730 608 1HB GLU 83 2HB GLU 83 14.264 -7.371 -12.680 609 2HB GLU 83 1HB GLU 83 15.154 -8.587 -13.586 610 1HG GLU 83 2HG GLU 83 13.157 -9.071 -14.903 611 2HG GLU 83 1HG GLU 83 12.265 -7.851 -13.994 612 H GLU 84 H GLU 84 13.776 -8.358 -9.894 613 HA GLU 84 HA GLU 84 16.513 -8.906 -9.275 614 1HB GLU 84 2HB GLU 84 14.242 -7.881 -7.576 615 2HB GLU 84 1HB GLU 84 15.894 -8.039 -7.000 616 1HG GLU 84 2HG GLU 84 15.441 -5.758 -7.640 617 2HG GLU 84 1HG GLU 84 16.638 -6.468 -8.724 618 H ARG 85 H ARG 85 13.630 -10.705 -9.021 619 HA ARG 85 HA ARG 85 13.152 -12.757 -8.172 620 1HB ARG 85 2HB ARG 85 16.152 -12.940 -7.832 621 2HB ARG 85 1HB ARG 85 15.031 -14.290 -7.722 622 1HG ARG 85 2HG ARG 85 14.405 -13.974 -10.057 623 2HG ARG 85 1HG ARG 85 15.515 -12.607 -10.170 624 1HD ARG 85 2HD ARG 85 16.275 -15.460 -9.549 625 2HD ARG 85 1HD ARG 85 16.504 -14.644 -11.096 626 HE ARG 85 HE ARG 85 17.767 -13.138 -9.105 627 1HH1 ARG 85 1HH1 ARG 85 18.092 -16.227 -10.696 628 2HH1 ARG 85 2HH1 ARG 85 19.807 -16.298 -10.480 629 1HH2 ARG 85 1HH2 ARG 85 20.026 -13.230 -8.822 630 2HH2 ARG 85 2HH2 ARG 85 20.906 -14.598 -9.416 631 H ILE 86 H ILE 86 13.426 -14.163 -6.142 632 HA ILE 86 HA ILE 86 13.657 -12.367 -3.816 633 HB ILE 86 HB ILE 86 11.983 -14.871 -4.079 634 1HG1 ILE 86 2HG1 ILE 86 11.086 -13.057 -5.442 635 2HG1 ILE 86 1HG1 ILE 86 10.060 -13.320 -4.037 636 1HG2 ILE 86 1HG2 ILE 86 12.159 -14.841 -1.841 637 2HG2 ILE 86 2HG2 ILE 86 11.011 -13.506 -1.938 638 3HG2 ILE 86 3HG2 ILE 86 12.739 -13.176 -1.807 639 1HD1 ILE 86 1HD1 ILE 86 10.182 -11.129 -3.720 640 2HD1 ILE 86 2HD1 ILE 86 11.517 -10.959 -4.858 641 3HD1 ILE 86 3HD1 ILE 86 11.839 -11.399 -3.182
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